USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 847 LEU H : A 847 LEU N : A 871 TYR OH :(H bumps) USER MOD NoAdj-H: A 855 ARGHH11 : A 855 ARG NH1 : A 889 THR OG1 :(H bumps) USER MOD NoAdj-H: A 890 HIS H : A 890 HIS N : A 855 ARG O :(H bumps) USER MOD Single : A 836 SER OG : rot 180:sc= 0.12 USER MOD Single : A 840 THR OG1 : rot 180:sc= 0 USER MOD Single : A 842 CYS SG : rot 16:sc= 0.774 USER MOD Single : A 843 GLN : amide:sc= -0.359 K(o=-0.36,f=-2.1!) USER MOD Single : A 844 THR OG1 : rot 180:sc= 0 USER MOD Single : A 845 LYS NZ :NH3+ 148:sc= -6.62! (180deg=-8.94!) USER MOD Single : A 852 THR OG1 : rot 180:sc= 0 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.107 USER MOD Single : A 861 SER OG : rot 180:sc= 0 USER MOD Single : A 862 THR OG1 : rot -140:sc=-0.00163 USER MOD Single : A 866 SER OG : rot 180:sc= 0 USER MOD Single : A 881 GLN : amide:sc= -0.923 K(o=-0.92,f=-2!) USER MOD Single : A 885 MET CE :methyl 137:sc= -18! (180deg=-25.9!) USER MOD Single : A 886 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 890 HIS : no HD1:sc= -20.5! C(o=-20!,f=-25!) USER MOD Single : A 894 SER OG : rot 180:sc= 0 USER MOD Single : A 897 LYS NZ :NH3+ 134:sc= -17.3! (180deg=-18.2!) USER MOD Single : A 898 ASN : amide:sc= -30.8! C(o=-31!,f=-38!) USER MOD Single : A 902 GLN : amide:sc= -3.03! K(o=-3!,f=-1.1) USER MOD Single : A 903 GLN : amide:sc= -13.2! C(o=-13!,f=-14!) USER MOD Single : A 905 SER OG : rot 157:sc= -0.88! USER MOD Single : A 912 CYS SG : rot -180:sc= -10.5! USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 922 CYS SG : rot -73:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 835 -12.999 -1.487 12.216 1.00 0.00 N ATOM 2 CA GLY A 835 -13.551 -2.408 11.242 1.00 0.00 C ATOM 3 C GLY A 835 -13.653 -1.737 9.880 1.00 0.00 C ATOM 4 O GLY A 835 -14.661 -1.875 9.191 1.00 0.00 O ATOM 0 HA2 GLY A 835 -12.921 -3.295 11.172 1.00 0.00 H new ATOM 0 HA3 GLY A 835 -14.537 -2.742 11.565 1.00 0.00 H new ATOM 8 N SER A 836 -12.604 -1.007 9.493 1.00 0.00 N ATOM 9 CA SER A 836 -12.581 -0.321 8.217 1.00 0.00 C ATOM 10 C SER A 836 -12.562 -1.337 7.084 1.00 0.00 C ATOM 11 O SER A 836 -13.552 -1.494 6.372 1.00 0.00 O ATOM 12 CB SER A 836 -11.355 0.586 8.150 1.00 0.00 C ATOM 13 OG SER A 836 -10.292 -0.009 8.861 1.00 0.00 O ATOM 0 H SER A 836 -11.761 -0.881 10.053 1.00 0.00 H new ATOM 0 HA SER A 836 -13.477 0.291 8.114 1.00 0.00 H new ATOM 0 HB2 SER A 836 -11.066 0.749 7.112 1.00 0.00 H new ATOM 0 HB3 SER A 836 -11.588 1.563 8.573 1.00 0.00 H new ATOM 0 HG SER A 836 -9.504 0.572 8.817 1.00 0.00 H new ATOM 19 N ALA A 837 -11.432 -2.028 6.918 1.00 0.00 N ATOM 20 CA ALA A 837 -11.291 -3.024 5.875 1.00 0.00 C ATOM 21 C ALA A 837 -12.611 -3.755 5.678 1.00 0.00 C ATOM 22 O ALA A 837 -13.217 -3.670 4.612 1.00 0.00 O ATOM 23 CB ALA A 837 -10.182 -4.001 6.253 1.00 0.00 C ATOM 0 H ALA A 837 -10.603 -1.909 7.500 1.00 0.00 H new ATOM 0 HA ALA A 837 -11.025 -2.538 4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -10.075 -4.751 5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -9.243 -3.459 6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -10.434 -4.492 7.193 1.00 0.00 H new ATOM 29 N ASP A 838 -13.056 -4.476 6.710 1.00 0.00 N ATOM 30 CA ASP A 838 -14.299 -5.218 6.644 1.00 0.00 C ATOM 31 C ASP A 838 -15.377 -4.361 5.996 1.00 0.00 C ATOM 32 O ASP A 838 -16.215 -4.870 5.256 1.00 0.00 O ATOM 33 CB ASP A 838 -14.714 -5.638 8.051 1.00 0.00 C ATOM 34 CG ASP A 838 -15.515 -4.538 8.733 1.00 0.00 C ATOM 35 OD1 ASP A 838 -16.583 -4.190 8.184 1.00 0.00 O ATOM 36 OD2 ASP A 838 -15.044 -4.064 9.790 1.00 0.00 O ATOM 0 H ASP A 838 -12.566 -4.556 7.601 1.00 0.00 H new ATOM 0 HA ASP A 838 -14.162 -6.113 6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -15.310 -6.550 8.002 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -13.828 -5.868 8.642 1.00 0.00 H new ATOM 41 N GLU A 839 -15.354 -3.056 6.276 1.00 0.00 N ATOM 42 CA GLU A 839 -16.328 -2.139 5.718 1.00 0.00 C ATOM 43 C GLU A 839 -15.805 -1.558 4.412 1.00 0.00 C ATOM 44 O GLU A 839 -16.584 -1.106 3.575 1.00 0.00 O ATOM 45 CB GLU A 839 -16.617 -1.031 6.726 1.00 0.00 C ATOM 46 CG GLU A 839 -17.898 -1.357 7.488 1.00 0.00 C ATOM 47 CD GLU A 839 -18.971 -0.312 7.220 1.00 0.00 C ATOM 48 OE1 GLU A 839 -18.798 0.820 7.723 1.00 0.00 O ATOM 49 OE2 GLU A 839 -19.944 -0.664 6.518 1.00 0.00 O ATOM 0 H GLU A 839 -14.666 -2.618 6.888 1.00 0.00 H new ATOM 0 HA GLU A 839 -17.255 -2.672 5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -15.783 -0.931 7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -16.720 -0.075 6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -18.261 -2.341 7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -17.688 -1.403 8.557 1.00 0.00 H new ATOM 56 N THR A 840 -14.482 -1.571 4.238 1.00 0.00 N ATOM 57 CA THR A 840 -13.867 -1.047 3.035 1.00 0.00 C ATOM 58 C THR A 840 -13.547 -2.186 2.078 1.00 0.00 C ATOM 59 O THR A 840 -14.180 -2.319 1.033 1.00 0.00 O ATOM 60 CB THR A 840 -12.601 -0.279 3.405 1.00 0.00 C ATOM 61 OG1 THR A 840 -12.948 0.872 4.142 1.00 0.00 O ATOM 62 CG2 THR A 840 -11.867 0.135 2.132 1.00 0.00 C ATOM 0 H THR A 840 -13.822 -1.941 4.921 1.00 0.00 H new ATOM 0 HA THR A 840 -14.557 -0.366 2.537 1.00 0.00 H new ATOM 0 HB THR A 840 -11.953 -0.915 4.008 1.00 0.00 H new ATOM 0 HG1 THR A 840 -12.135 1.365 4.381 1.00 0.00 H new ATOM 0 HG21 THR A 840 -10.963 0.684 2.395 1.00 0.00 H new ATOM 0 HG22 THR A 840 -11.599 -0.754 1.561 1.00 0.00 H new ATOM 0 HG23 THR A 840 -12.515 0.771 1.529 1.00 0.00 H new ATOM 70 N LEU A 841 -12.559 -3.009 2.438 1.00 0.00 N ATOM 71 CA LEU A 841 -12.159 -4.131 1.612 1.00 0.00 C ATOM 72 C LEU A 841 -13.343 -5.064 1.400 1.00 0.00 C ATOM 73 O LEU A 841 -13.222 -6.078 0.716 1.00 0.00 O ATOM 74 CB LEU A 841 -11.003 -4.868 2.282 1.00 0.00 C ATOM 75 CG LEU A 841 -10.486 -5.958 1.348 1.00 0.00 C ATOM 76 CD1 LEU A 841 -11.136 -7.290 1.711 1.00 0.00 C ATOM 77 CD2 LEU A 841 -10.831 -5.598 -0.094 1.00 0.00 C ATOM 0 H LEU A 841 -12.025 -2.911 3.301 1.00 0.00 H new ATOM 0 HA LEU A 841 -11.827 -3.771 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -10.202 -4.169 2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -11.334 -5.307 3.223 1.00 0.00 H new ATOM 0 HG LEU A 841 -9.404 -6.043 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -10.767 -8.069 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -10.888 -7.547 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -12.218 -7.207 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -10.462 -6.376 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -11.913 -5.513 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -10.365 -4.647 -0.353 1.00 0.00 H new ATOM 89 N CYS A 842 -14.489 -4.718 1.991 1.00 0.00 N ATOM 90 CA CYS A 842 -15.690 -5.519 1.867 1.00 0.00 C ATOM 91 C CYS A 842 -16.083 -5.625 0.400 1.00 0.00 C ATOM 92 O CYS A 842 -16.968 -6.403 0.049 1.00 0.00 O ATOM 93 CB CYS A 842 -16.812 -4.884 2.684 1.00 0.00 C ATOM 94 SG CYS A 842 -18.397 -5.298 1.915 1.00 0.00 S ATOM 0 H CYS A 842 -14.602 -3.881 2.562 1.00 0.00 H new ATOM 0 HA CYS A 842 -15.506 -6.523 2.250 1.00 0.00 H new ATOM 0 HB2 CYS A 842 -16.784 -5.248 3.711 1.00 0.00 H new ATOM 0 HB3 CYS A 842 -16.683 -3.802 2.726 1.00 0.00 H new ATOM 0 HG CYS A 842 -18.232 -6.286 1.086 1.00 0.00 H new ATOM 100 N GLN A 843 -15.424 -4.842 -0.457 1.00 0.00 N ATOM 101 CA GLN A 843 -15.710 -4.853 -1.877 1.00 0.00 C ATOM 102 C GLN A 843 -14.577 -5.540 -2.627 1.00 0.00 C ATOM 103 O GLN A 843 -14.067 -5.006 -3.609 1.00 0.00 O ATOM 104 CB GLN A 843 -15.892 -3.420 -2.368 1.00 0.00 C ATOM 105 CG GLN A 843 -16.508 -2.574 -1.257 1.00 0.00 C ATOM 106 CD GLN A 843 -17.835 -1.977 -1.701 1.00 0.00 C ATOM 107 OE1 GLN A 843 -18.470 -2.486 -2.623 1.00 0.00 O ATOM 108 NE2 GLN A 843 -18.254 -0.894 -1.042 1.00 0.00 N ATOM 0 H GLN A 843 -14.687 -4.193 -0.182 1.00 0.00 H new ATOM 0 HA GLN A 843 -16.630 -5.407 -2.063 1.00 0.00 H new ATOM 0 HB2 GLN A 843 -14.931 -3.002 -2.667 1.00 0.00 H new ATOM 0 HB3 GLN A 843 -16.534 -3.405 -3.249 1.00 0.00 H new ATOM 0 HG2 GLN A 843 -16.660 -3.188 -0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 843 -15.820 -1.775 -0.979 1.00 0.00 H new ATOM 0 HE21 GLN A 843 -17.691 -0.509 -0.284 1.00 0.00 H new ATOM 0 HE22 GLN A 843 -19.137 -0.452 -1.297 1.00 0.00 H new ATOM 117 N THR A 844 -14.184 -6.728 -2.161 1.00 0.00 N ATOM 118 CA THR A 844 -13.116 -7.477 -2.792 1.00 0.00 C ATOM 119 C THR A 844 -11.990 -6.536 -3.195 1.00 0.00 C ATOM 120 O THR A 844 -12.090 -5.837 -4.201 1.00 0.00 O ATOM 121 CB THR A 844 -13.665 -8.215 -4.010 1.00 0.00 C ATOM 122 OG1 THR A 844 -13.642 -9.603 -3.768 1.00 0.00 O ATOM 123 CG2 THR A 844 -12.803 -7.897 -5.229 1.00 0.00 C ATOM 0 H THR A 844 -14.596 -7.185 -1.347 1.00 0.00 H new ATOM 0 HA THR A 844 -12.716 -8.208 -2.089 1.00 0.00 H new ATOM 0 HB THR A 844 -14.690 -7.895 -4.197 1.00 0.00 H new ATOM 0 HG1 THR A 844 -13.996 -10.077 -4.549 1.00 0.00 H new ATOM 0 HG21 THR A 844 -13.195 -8.424 -6.099 1.00 0.00 H new ATOM 0 HG22 THR A 844 -12.820 -6.823 -5.417 1.00 0.00 H new ATOM 0 HG23 THR A 844 -11.778 -8.216 -5.043 1.00 0.00 H new ATOM 131 N LYS A 845 -10.913 -6.520 -2.405 1.00 0.00 N ATOM 132 CA LYS A 845 -9.776 -5.667 -2.682 1.00 0.00 C ATOM 133 C LYS A 845 -10.252 -4.331 -3.235 1.00 0.00 C ATOM 134 O LYS A 845 -9.449 -3.432 -3.472 1.00 0.00 O ATOM 135 CB LYS A 845 -8.850 -6.362 -3.676 1.00 0.00 C ATOM 136 CG LYS A 845 -8.004 -7.399 -2.943 1.00 0.00 C ATOM 137 CD LYS A 845 -8.914 -8.322 -2.137 1.00 0.00 C ATOM 138 CE LYS A 845 -8.974 -7.840 -0.690 1.00 0.00 C ATOM 139 NZ LYS A 845 -8.584 -8.912 0.239 1.00 0.00 N ATOM 0 H LYS A 845 -10.814 -7.094 -1.568 1.00 0.00 H new ATOM 0 HA LYS A 845 -9.226 -5.480 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 845 -9.435 -6.843 -4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 845 -8.206 -5.630 -4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 845 -7.421 -7.979 -3.658 1.00 0.00 H new ATOM 0 HG3 LYS A 845 -7.294 -6.903 -2.281 1.00 0.00 H new ATOM 0 HD2 LYS A 845 -9.914 -8.333 -2.570 1.00 0.00 H new ATOM 0 HD3 LYS A 845 -8.539 -9.345 -2.176 1.00 0.00 H new ATOM 0 HE2 LYS A 845 -8.313 -6.983 -0.561 1.00 0.00 H new ATOM 0 HE3 LYS A 845 -9.984 -7.501 -0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 -8.116 -8.498 1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 -9.431 -9.434 0.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 -7.929 -9.564 -0.238 1.00 0.00 H new ATOM 153 N VAL A 846 -11.566 -4.202 -3.438 1.00 0.00 N ATOM 154 CA VAL A 846 -12.143 -2.980 -3.960 1.00 0.00 C ATOM 155 C VAL A 846 -11.109 -2.237 -4.793 1.00 0.00 C ATOM 156 O VAL A 846 -11.331 -1.974 -5.972 1.00 0.00 O ATOM 157 CB VAL A 846 -12.630 -2.113 -2.802 1.00 0.00 C ATOM 158 CG1 VAL A 846 -12.891 -2.993 -1.582 1.00 0.00 C ATOM 159 CG2 VAL A 846 -11.564 -1.075 -2.462 1.00 0.00 C ATOM 0 H VAL A 846 -12.245 -4.938 -3.245 1.00 0.00 H new ATOM 0 HA VAL A 846 -12.993 -3.218 -4.600 1.00 0.00 H new ATOM 0 HB VAL A 846 -13.552 -1.607 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -13.239 -2.374 -0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -13.651 -3.735 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -11.969 -3.499 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -11.910 -0.455 -1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -10.642 -1.581 -2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -11.377 -0.447 -3.333 1.00 0.00 H new ATOM 169 N LEU A 847 -9.974 -1.899 -4.176 1.00 0.00 N ATOM 170 CA LEU A 847 -8.912 -1.190 -4.862 1.00 0.00 C ATOM 171 C LEU A 847 -9.232 0.298 -4.910 1.00 0.00 C ATOM 172 O LEU A 847 -9.377 0.938 -3.871 1.00 0.00 O ATOM 173 CB LEU A 847 -8.752 -1.754 -6.270 1.00 0.00 C ATOM 174 CG LEU A 847 -8.693 -3.277 -6.204 1.00 0.00 C ATOM 175 CD1 LEU A 847 -7.648 -3.702 -5.177 1.00 0.00 C ATOM 176 CD2 LEU A 847 -10.059 -3.821 -5.796 1.00 0.00 C ATOM 0 HA LEU A 847 -7.974 -1.322 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 847 -9.586 -1.439 -6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 847 -7.843 -1.364 -6.729 1.00 0.00 H new ATOM 0 HG LEU A 847 -8.422 -3.673 -7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 847 -7.606 -4.790 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 847 -6.672 -3.313 -5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 847 -7.918 -3.307 -4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 847 -10.018 -4.909 -5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 847 -10.331 -3.425 -4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 847 -10.805 -3.518 -6.530 1.00 0.00 H new ATOM 188 N LEU A 848 -9.341 0.847 -6.122 1.00 0.00 N ATOM 189 CA LEU A 848 -9.643 2.254 -6.299 1.00 0.00 C ATOM 190 C LEU A 848 -8.358 3.030 -6.551 1.00 0.00 C ATOM 191 O LEU A 848 -7.265 2.512 -6.333 1.00 0.00 O ATOM 192 CB LEU A 848 -10.358 2.781 -5.059 1.00 0.00 C ATOM 193 CG LEU A 848 -11.857 2.868 -5.335 1.00 0.00 C ATOM 194 CD1 LEU A 848 -12.604 3.083 -4.022 1.00 0.00 C ATOM 195 CD2 LEU A 848 -12.133 4.038 -6.276 1.00 0.00 C ATOM 0 H LEU A 848 -9.223 0.330 -6.993 1.00 0.00 H new ATOM 0 HA LEU A 848 -10.297 2.383 -7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 848 -10.171 2.122 -4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 848 -9.969 3.763 -4.792 1.00 0.00 H new ATOM 0 HG LEU A 848 -12.196 1.941 -5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 848 -13.674 3.145 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 848 -12.406 2.248 -3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 848 -12.266 4.010 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 848 -13.203 4.101 -6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 848 -11.794 4.965 -5.813 1.00 0.00 H new ATOM 0 HD23 LEU A 848 -11.599 3.884 -7.214 1.00 0.00 H new ATOM 207 N ASP A 849 -8.492 4.276 -7.011 1.00 0.00 N ATOM 208 CA ASP A 849 -7.344 5.115 -7.289 1.00 0.00 C ATOM 209 C ASP A 849 -6.784 5.671 -5.988 1.00 0.00 C ATOM 210 O ASP A 849 -6.669 6.884 -5.828 1.00 0.00 O ATOM 211 CB ASP A 849 -7.757 6.246 -8.227 1.00 0.00 C ATOM 212 CG ASP A 849 -8.967 6.991 -7.681 1.00 0.00 C ATOM 213 OD1 ASP A 849 -9.177 6.906 -6.452 1.00 0.00 O ATOM 214 OD2 ASP A 849 -9.658 7.631 -8.503 1.00 0.00 O ATOM 0 H ASP A 849 -9.392 4.720 -7.197 1.00 0.00 H new ATOM 0 HA ASP A 849 -6.566 4.525 -7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 849 -6.926 6.939 -8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 849 -7.989 5.841 -9.212 1.00 0.00 H new ATOM 219 N ILE A 850 -6.436 4.780 -5.057 1.00 0.00 N ATOM 220 CA ILE A 850 -5.890 5.183 -3.776 1.00 0.00 C ATOM 221 C ILE A 850 -4.395 5.439 -3.911 1.00 0.00 C ATOM 222 O ILE A 850 -3.982 6.533 -4.289 1.00 0.00 O ATOM 223 CB ILE A 850 -6.163 4.095 -2.742 1.00 0.00 C ATOM 224 CG1 ILE A 850 -7.259 3.166 -3.257 1.00 0.00 C ATOM 225 CG2 ILE A 850 -6.613 4.738 -1.434 1.00 0.00 C ATOM 226 CD1 ILE A 850 -8.605 3.603 -2.686 1.00 0.00 C ATOM 0 H ILE A 850 -6.527 3.771 -5.175 1.00 0.00 H new ATOM 0 HA ILE A 850 -6.368 6.105 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 850 -5.253 3.521 -2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 850 -7.289 3.190 -4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 850 -7.045 2.137 -2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 850 -6.808 3.961 -0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 850 -5.830 5.400 -1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 850 -7.523 5.313 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 850 -9.388 2.940 -3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 850 -8.571 3.556 -1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 850 -8.818 4.625 -2.999 1.00 0.00 H new ATOM 238 N PHE A 851 -3.584 4.425 -3.602 1.00 0.00 N ATOM 239 CA PHE A 851 -2.143 4.547 -3.691 1.00 0.00 C ATOM 240 C PHE A 851 -1.747 4.978 -5.096 1.00 0.00 C ATOM 241 O PHE A 851 -0.633 4.707 -5.540 1.00 0.00 O ATOM 242 CB PHE A 851 -1.497 3.212 -3.332 1.00 0.00 C ATOM 243 CG PHE A 851 -2.142 2.529 -2.150 1.00 0.00 C ATOM 244 CD1 PHE A 851 -1.738 2.851 -0.849 1.00 0.00 C ATOM 245 CD2 PHE A 851 -3.147 1.576 -2.354 1.00 0.00 C ATOM 246 CE1 PHE A 851 -2.337 2.219 0.248 1.00 0.00 C ATOM 247 CE2 PHE A 851 -3.747 0.944 -1.258 1.00 0.00 C ATOM 248 CZ PHE A 851 -3.342 1.266 0.043 1.00 0.00 C ATOM 0 H PHE A 851 -3.910 3.511 -3.288 1.00 0.00 H new ATOM 0 HA PHE A 851 -1.794 5.304 -2.989 1.00 0.00 H new ATOM 0 HB2 PHE A 851 -1.547 2.549 -4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 851 -0.441 3.375 -3.116 1.00 0.00 H new ATOM 0 HD1 PHE A 851 -0.964 3.587 -0.691 1.00 0.00 H new ATOM 0 HD2 PHE A 851 -3.460 1.328 -3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 851 -2.024 2.467 1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 851 -4.522 0.208 -1.416 1.00 0.00 H new ATOM 0 HZ PHE A 851 -3.805 0.779 0.889 1.00 0.00 H new ATOM 258 N THR A 852 -2.662 5.650 -5.798 1.00 0.00 N ATOM 259 CA THR A 852 -2.400 6.112 -7.146 1.00 0.00 C ATOM 260 C THR A 852 -0.918 6.416 -7.311 1.00 0.00 C ATOM 261 O THR A 852 -0.426 7.419 -6.799 1.00 0.00 O ATOM 262 CB THR A 852 -3.241 7.354 -7.429 1.00 0.00 C ATOM 263 OG1 THR A 852 -3.689 7.323 -8.765 1.00 0.00 O ATOM 264 CG2 THR A 852 -2.394 8.604 -7.205 1.00 0.00 C ATOM 0 H THR A 852 -3.591 5.883 -5.446 1.00 0.00 H new ATOM 0 HA THR A 852 -2.671 5.334 -7.859 1.00 0.00 H new ATOM 0 HB THR A 852 -4.100 7.372 -6.758 1.00 0.00 H new ATOM 0 HG1 THR A 852 -4.231 8.119 -8.947 1.00 0.00 H new ATOM 0 HG21 THR A 852 -2.994 9.491 -7.407 1.00 0.00 H new ATOM 0 HG22 THR A 852 -2.047 8.628 -6.172 1.00 0.00 H new ATOM 0 HG23 THR A 852 -1.535 8.587 -7.876 1.00 0.00 H new ATOM 272 N GLY A 853 -0.205 5.545 -8.029 1.00 0.00 N ATOM 273 CA GLY A 853 1.214 5.727 -8.256 1.00 0.00 C ATOM 274 C GLY A 853 1.998 5.386 -6.996 1.00 0.00 C ATOM 275 O GLY A 853 3.073 4.796 -7.071 1.00 0.00 O ATOM 0 H GLY A 853 -0.596 4.708 -8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 853 1.542 5.093 -9.080 1.00 0.00 H new ATOM 0 HA3 GLY A 853 1.413 6.758 -8.549 1.00 0.00 H new ATOM 279 N VAL A 854 1.455 5.761 -5.835 1.00 0.00 N ATOM 280 CA VAL A 854 2.102 5.495 -4.567 1.00 0.00 C ATOM 281 C VAL A 854 2.816 4.152 -4.624 1.00 0.00 C ATOM 282 O VAL A 854 2.172 3.107 -4.690 1.00 0.00 O ATOM 283 CB VAL A 854 1.060 5.506 -3.452 1.00 0.00 C ATOM 284 CG1 VAL A 854 1.576 4.698 -2.264 1.00 0.00 C ATOM 285 CG2 VAL A 854 0.801 6.945 -3.014 1.00 0.00 C ATOM 0 H VAL A 854 0.564 6.252 -5.757 1.00 0.00 H new ATOM 0 HA VAL A 854 2.842 6.269 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 854 0.133 5.063 -3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 854 0.832 4.706 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 854 1.762 3.670 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 854 2.503 5.140 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 854 0.057 6.955 -2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 854 1.728 7.387 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 854 0.433 7.523 -3.862 1.00 0.00 H new ATOM 295 N ARG A 855 4.150 4.181 -4.600 1.00 0.00 N ATOM 296 CA ARG A 855 4.943 2.969 -4.651 1.00 0.00 C ATOM 297 C ARG A 855 5.483 2.648 -3.264 1.00 0.00 C ATOM 298 O ARG A 855 6.596 3.042 -2.923 1.00 0.00 O ATOM 299 CB ARG A 855 6.085 3.151 -5.647 1.00 0.00 C ATOM 300 CG ARG A 855 7.247 3.865 -4.963 1.00 0.00 C ATOM 301 CD ARG A 855 8.182 4.443 -6.022 1.00 0.00 C ATOM 302 NE ARG A 855 7.431 5.166 -7.048 1.00 0.00 N ATOM 303 CZ ARG A 855 7.602 6.474 -7.287 1.00 0.00 C ATOM 304 NH1 ARG A 855 8.493 7.175 -6.572 1.00 0.00 N ATOM 305 NH2 ARG A 855 6.882 7.081 -8.241 1.00 0.00 N ATOM 0 H ARG A 855 4.698 5.039 -4.545 1.00 0.00 H new ATOM 0 HA ARG A 855 4.321 2.136 -4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 855 6.411 2.182 -6.024 1.00 0.00 H new ATOM 0 HB3 ARG A 855 5.744 3.729 -6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 855 6.871 4.661 -4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 855 7.790 3.169 -4.324 1.00 0.00 H new ATOM 0 HD2 ARG A 855 8.899 5.115 -5.551 1.00 0.00 H new ATOM 0 HD3 ARG A 855 8.754 3.639 -6.484 1.00 0.00 H new ATOM 0 HE ARG A 855 6.748 4.653 -7.605 1.00 0.00 H new ATOM 0 HH12 ARG A 855 8.623 8.170 -6.754 1.00 0.00 H new ATOM 0 HH21 ARG A 855 6.204 6.548 -8.785 1.00 0.00 H new ATOM 0 HH22 ARG A 855 7.012 8.076 -8.423 1.00 0.00 H new ATOM 319 N LEU A 856 4.691 1.931 -2.464 1.00 0.00 N ATOM 320 CA LEU A 856 5.092 1.560 -1.122 1.00 0.00 C ATOM 321 C LEU A 856 5.553 0.110 -1.102 1.00 0.00 C ATOM 322 O LEU A 856 4.945 -0.746 -1.740 1.00 0.00 O ATOM 323 CB LEU A 856 3.921 1.768 -0.166 1.00 0.00 C ATOM 324 CG LEU A 856 3.258 0.425 0.125 1.00 0.00 C ATOM 325 CD1 LEU A 856 4.319 -0.586 0.549 1.00 0.00 C ATOM 326 CD2 LEU A 856 2.238 0.594 1.247 1.00 0.00 C ATOM 0 H LEU A 856 3.765 1.598 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 856 5.923 2.188 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 856 4.271 2.222 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 856 3.198 2.456 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 856 2.754 0.067 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 856 3.845 -1.545 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 856 5.047 -0.707 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 856 4.824 -0.229 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 856 1.764 -0.365 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 856 2.741 0.953 2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 856 1.479 1.315 0.943 1.00 0.00 H new ATOM 338 N TYR A 857 6.632 -0.165 -0.366 1.00 0.00 N ATOM 339 CA TYR A 857 7.168 -1.508 -0.269 1.00 0.00 C ATOM 340 C TYR A 857 6.331 -2.329 0.701 1.00 0.00 C ATOM 341 O TYR A 857 6.548 -2.276 1.910 1.00 0.00 O ATOM 342 CB TYR A 857 8.621 -1.442 0.192 1.00 0.00 C ATOM 343 CG TYR A 857 8.961 -2.454 1.260 1.00 0.00 C ATOM 344 CD1 TYR A 857 8.634 -3.803 1.076 1.00 0.00 C ATOM 345 CD2 TYR A 857 9.603 -2.043 2.434 1.00 0.00 C ATOM 346 CE1 TYR A 857 8.949 -4.741 2.067 1.00 0.00 C ATOM 347 CE2 TYR A 857 9.919 -2.981 3.425 1.00 0.00 C ATOM 348 CZ TYR A 857 9.592 -4.330 3.241 1.00 0.00 C ATOM 349 OH TYR A 857 9.899 -5.244 4.205 1.00 0.00 O ATOM 0 H TYR A 857 7.147 0.533 0.170 1.00 0.00 H new ATOM 0 HA TYR A 857 7.132 -1.990 -1.246 1.00 0.00 H new ATOM 0 HB2 TYR A 857 9.274 -1.599 -0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 857 8.828 -0.441 0.572 1.00 0.00 H new ATOM 0 HD1 TYR A 857 8.139 -4.120 0.170 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.855 -1.002 2.576 1.00 0.00 H new ATOM 0 HE1 TYR A 857 8.696 -5.781 1.926 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.415 -2.664 4.331 1.00 0.00 H new ATOM 0 HH TYR A 857 10.343 -4.793 4.953 1.00 0.00 H new ATOM 359 N LEU A 858 5.372 -3.090 0.169 1.00 0.00 N ATOM 360 CA LEU A 858 4.508 -3.917 0.988 1.00 0.00 C ATOM 361 C LEU A 858 5.256 -5.168 1.426 1.00 0.00 C ATOM 362 O LEU A 858 5.584 -6.019 0.602 1.00 0.00 O ATOM 363 CB LEU A 858 3.257 -4.285 0.196 1.00 0.00 C ATOM 364 CG LEU A 858 2.268 -5.000 1.112 1.00 0.00 C ATOM 365 CD1 LEU A 858 2.676 -4.787 2.567 1.00 0.00 C ATOM 366 CD2 LEU A 858 0.868 -4.435 0.888 1.00 0.00 C ATOM 0 H LEU A 858 5.180 -3.145 -0.831 1.00 0.00 H new ATOM 0 HA LEU A 858 4.209 -3.366 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 858 2.800 -3.387 -0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 858 3.521 -4.927 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 858 2.270 -6.067 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 858 1.970 -5.298 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 858 3.676 -5.190 2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 858 2.674 -3.721 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 858 0.161 -4.945 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 858 0.866 -3.368 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 858 0.576 -4.587 -0.151 1.00 0.00 H new ATOM 378 N PRO A 859 5.525 -5.278 2.729 1.00 0.00 N ATOM 379 CA PRO A 859 6.224 -6.396 3.327 1.00 0.00 C ATOM 380 C PRO A 859 5.316 -7.618 3.338 1.00 0.00 C ATOM 381 O PRO A 859 4.104 -7.492 3.491 1.00 0.00 O ATOM 382 CB PRO A 859 6.548 -5.941 4.748 1.00 0.00 C ATOM 383 CG PRO A 859 5.399 -4.984 5.067 1.00 0.00 C ATOM 384 CD PRO A 859 5.154 -4.297 3.726 1.00 0.00 C ATOM 0 HA PRO A 859 7.126 -6.674 2.781 1.00 0.00 H new ATOM 0 HB2 PRO A 859 6.581 -6.780 5.444 1.00 0.00 H new ATOM 0 HB3 PRO A 859 7.516 -5.443 4.803 1.00 0.00 H new ATOM 0 HG2 PRO A 859 4.514 -5.516 5.417 1.00 0.00 H new ATOM 0 HG3 PRO A 859 5.670 -4.270 5.844 1.00 0.00 H new ATOM 0 HD2 PRO A 859 4.110 -4.001 3.619 1.00 0.00 H new ATOM 0 HD3 PRO A 859 5.754 -3.392 3.631 1.00 0.00 H new ATOM 392 N PRO A 860 5.908 -8.804 3.175 1.00 0.00 N ATOM 393 CA PRO A 860 5.206 -10.070 3.158 1.00 0.00 C ATOM 394 C PRO A 860 4.744 -10.415 4.567 1.00 0.00 C ATOM 395 O PRO A 860 3.808 -11.192 4.742 1.00 0.00 O ATOM 396 CB PRO A 860 6.235 -11.081 2.656 1.00 0.00 C ATOM 397 CG PRO A 860 7.556 -10.491 3.148 1.00 0.00 C ATOM 398 CD PRO A 860 7.331 -8.989 2.992 1.00 0.00 C ATOM 0 HA PRO A 860 4.318 -10.055 2.526 1.00 0.00 H new ATOM 0 HB2 PRO A 860 6.058 -12.075 3.066 1.00 0.00 H new ATOM 0 HB3 PRO A 860 6.213 -11.175 1.570 1.00 0.00 H new ATOM 0 HG2 PRO A 860 7.761 -10.764 4.183 1.00 0.00 H new ATOM 0 HG3 PRO A 860 8.401 -10.838 2.553 1.00 0.00 H new ATOM 0 HD2 PRO A 860 7.901 -8.425 3.731 1.00 0.00 H new ATOM 0 HD3 PRO A 860 7.651 -8.642 2.010 1.00 0.00 H new ATOM 406 N SER A 861 5.403 -9.836 5.572 1.00 0.00 N ATOM 407 CA SER A 861 5.057 -10.086 6.957 1.00 0.00 C ATOM 408 C SER A 861 3.784 -9.332 7.315 1.00 0.00 C ATOM 409 O SER A 861 3.129 -9.650 8.305 1.00 0.00 O ATOM 410 CB SER A 861 6.212 -9.653 7.855 1.00 0.00 C ATOM 411 OG SER A 861 6.716 -10.775 8.544 1.00 0.00 O ATOM 0 H SER A 861 6.181 -9.189 5.443 1.00 0.00 H new ATOM 0 HA SER A 861 4.879 -11.151 7.105 1.00 0.00 H new ATOM 0 HB2 SER A 861 7.000 -9.196 7.257 1.00 0.00 H new ATOM 0 HB3 SER A 861 5.872 -8.899 8.565 1.00 0.00 H new ATOM 0 HG SER A 861 7.459 -10.499 9.120 1.00 0.00 H new ATOM 417 N THR A 862 3.432 -8.331 6.505 1.00 0.00 N ATOM 418 CA THR A 862 2.239 -7.543 6.742 1.00 0.00 C ATOM 419 C THR A 862 1.003 -8.423 6.620 1.00 0.00 C ATOM 420 O THR A 862 0.963 -9.331 5.793 1.00 0.00 O ATOM 421 CB THR A 862 2.184 -6.392 5.742 1.00 0.00 C ATOM 422 OG1 THR A 862 2.115 -5.168 6.438 1.00 0.00 O ATOM 423 CG2 THR A 862 0.949 -6.545 4.858 1.00 0.00 C ATOM 0 H THR A 862 3.963 -8.053 5.680 1.00 0.00 H new ATOM 0 HA THR A 862 2.267 -7.131 7.751 1.00 0.00 H new ATOM 0 HB THR A 862 3.080 -6.407 5.121 1.00 0.00 H new ATOM 0 HG1 THR A 862 1.493 -4.566 5.980 1.00 0.00 H new ATOM 0 HG21 THR A 862 0.909 -5.723 4.143 1.00 0.00 H new ATOM 0 HG22 THR A 862 1.002 -7.491 4.320 1.00 0.00 H new ATOM 0 HG23 THR A 862 0.053 -6.530 5.479 1.00 0.00 H new ATOM 431 N PRO A 863 -0.008 -8.151 7.449 1.00 0.00 N ATOM 432 CA PRO A 863 -1.259 -8.878 7.475 1.00 0.00 C ATOM 433 C PRO A 863 -2.080 -8.526 6.243 1.00 0.00 C ATOM 434 O PRO A 863 -2.029 -7.396 5.763 1.00 0.00 O ATOM 435 CB PRO A 863 -1.956 -8.410 8.751 1.00 0.00 C ATOM 436 CG PRO A 863 -1.439 -6.981 8.914 1.00 0.00 C ATOM 437 CD PRO A 863 0.006 -7.091 8.433 1.00 0.00 C ATOM 0 HA PRO A 863 -1.122 -9.959 7.467 1.00 0.00 H new ATOM 0 HB2 PRO A 863 -3.041 -8.439 8.653 1.00 0.00 H new ATOM 0 HB3 PRO A 863 -1.696 -9.034 9.606 1.00 0.00 H new ATOM 0 HG2 PRO A 863 -2.012 -6.272 8.316 1.00 0.00 H new ATOM 0 HG3 PRO A 863 -1.497 -6.645 9.949 1.00 0.00 H new ATOM 0 HD2 PRO A 863 0.350 -6.153 7.998 1.00 0.00 H new ATOM 0 HD3 PRO A 863 0.680 -7.326 9.257 1.00 0.00 H new ATOM 445 N ASP A 864 -2.838 -9.498 5.731 1.00 0.00 N ATOM 446 CA ASP A 864 -3.662 -9.287 4.558 1.00 0.00 C ATOM 447 C ASP A 864 -2.779 -8.987 3.355 1.00 0.00 C ATOM 448 O ASP A 864 -3.277 -8.617 2.295 1.00 0.00 O ATOM 449 CB ASP A 864 -4.631 -8.137 4.819 1.00 0.00 C ATOM 450 CG ASP A 864 -6.071 -8.630 4.824 1.00 0.00 C ATOM 451 OD1 ASP A 864 -6.591 -8.875 3.715 1.00 0.00 O ATOM 452 OD2 ASP A 864 -6.624 -8.753 5.938 1.00 0.00 O ATOM 0 H ASP A 864 -2.892 -10.440 6.119 1.00 0.00 H new ATOM 0 HA ASP A 864 -4.237 -10.188 4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 864 -4.399 -7.671 5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 864 -4.507 -7.371 4.053 1.00 0.00 H new ATOM 457 N PHE A 865 -1.464 -9.147 3.522 1.00 0.00 N ATOM 458 CA PHE A 865 -0.523 -8.892 2.450 1.00 0.00 C ATOM 459 C PHE A 865 -1.034 -9.510 1.156 1.00 0.00 C ATOM 460 O PHE A 865 -1.140 -8.828 0.140 1.00 0.00 O ATOM 461 CB PHE A 865 0.840 -9.467 2.824 1.00 0.00 C ATOM 462 CG PHE A 865 1.904 -9.226 1.780 1.00 0.00 C ATOM 463 CD1 PHE A 865 2.444 -7.945 1.615 1.00 0.00 C ATOM 464 CD2 PHE A 865 2.351 -10.283 0.979 1.00 0.00 C ATOM 465 CE1 PHE A 865 3.432 -7.722 0.648 1.00 0.00 C ATOM 466 CE2 PHE A 865 3.339 -10.060 0.013 1.00 0.00 C ATOM 467 CZ PHE A 865 3.879 -8.779 -0.153 1.00 0.00 C ATOM 0 H PHE A 865 -1.034 -9.453 4.395 1.00 0.00 H new ATOM 0 HA PHE A 865 -0.420 -7.817 2.299 1.00 0.00 H new ATOM 0 HB2 PHE A 865 1.163 -9.029 3.768 1.00 0.00 H new ATOM 0 HB3 PHE A 865 0.740 -10.540 2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 865 2.099 -7.129 2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 865 1.934 -11.271 1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 865 3.849 -6.734 0.520 1.00 0.00 H new ATOM 0 HE2 PHE A 865 3.685 -10.876 -0.604 1.00 0.00 H new ATOM 0 HZ PHE A 865 4.640 -8.607 -0.899 1.00 0.00 H new ATOM 477 N SER A 866 -1.350 -10.806 1.197 1.00 0.00 N ATOM 478 CA SER A 866 -1.848 -11.507 0.030 1.00 0.00 C ATOM 479 C SER A 866 -2.646 -10.551 -0.845 1.00 0.00 C ATOM 480 O SER A 866 -2.615 -10.654 -2.070 1.00 0.00 O ATOM 481 CB SER A 866 -2.713 -12.683 0.475 1.00 0.00 C ATOM 482 OG SER A 866 -3.134 -13.411 -0.657 1.00 0.00 O ATOM 0 H SER A 866 -1.267 -11.386 2.032 1.00 0.00 H new ATOM 0 HA SER A 866 -1.011 -11.889 -0.554 1.00 0.00 H new ATOM 0 HB2 SER A 866 -2.149 -13.329 1.147 1.00 0.00 H new ATOM 0 HB3 SER A 866 -3.578 -12.322 1.031 1.00 0.00 H new ATOM 0 HG SER A 866 -3.688 -14.167 -0.372 1.00 0.00 H new ATOM 488 N ARG A 867 -3.361 -9.617 -0.214 1.00 0.00 N ATOM 489 CA ARG A 867 -4.162 -8.649 -0.935 1.00 0.00 C ATOM 490 C ARG A 867 -3.388 -7.348 -1.084 1.00 0.00 C ATOM 491 O ARG A 867 -3.101 -6.918 -2.200 1.00 0.00 O ATOM 492 CB ARG A 867 -5.472 -8.416 -0.187 1.00 0.00 C ATOM 493 CG ARG A 867 -5.839 -9.671 0.600 1.00 0.00 C ATOM 494 CD ARG A 867 -5.893 -10.867 -0.346 1.00 0.00 C ATOM 495 NE ARG A 867 -7.117 -11.642 -0.143 1.00 0.00 N ATOM 496 CZ ARG A 867 -7.630 -12.448 -1.083 1.00 0.00 C ATOM 497 NH1 ARG A 867 -7.015 -12.572 -2.267 1.00 0.00 N ATOM 498 NH2 ARG A 867 -8.756 -13.132 -0.838 1.00 0.00 N ATOM 0 H ARG A 867 -3.396 -9.518 0.801 1.00 0.00 H new ATOM 0 HA ARG A 867 -4.390 -9.029 -1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -5.371 -7.567 0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -6.267 -8.170 -0.891 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -5.105 -9.848 1.386 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -6.804 -9.537 1.090 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -5.845 -10.521 -1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -5.024 -11.504 -0.182 1.00 0.00 H new ATOM 0 HE ARG A 867 -7.601 -11.566 0.752 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -6.157 -12.053 -2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -7.405 -13.185 -2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -9.223 -13.039 0.064 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -9.146 -13.745 -1.554 1.00 0.00 H new ATOM 512 N LEU A 868 -3.048 -6.720 0.044 1.00 0.00 N ATOM 513 CA LEU A 868 -2.310 -5.473 0.034 1.00 0.00 C ATOM 514 C LEU A 868 -1.399 -5.422 -1.185 1.00 0.00 C ATOM 515 O LEU A 868 -1.381 -4.429 -1.908 1.00 0.00 O ATOM 516 CB LEU A 868 -1.498 -5.353 1.321 1.00 0.00 C ATOM 517 CG LEU A 868 -2.446 -5.217 2.509 1.00 0.00 C ATOM 518 CD1 LEU A 868 -1.688 -5.510 3.800 1.00 0.00 C ATOM 519 CD2 LEU A 868 -3.001 -3.796 2.556 1.00 0.00 C ATOM 0 H LEU A 868 -3.278 -7.064 0.976 1.00 0.00 H new ATOM 0 HA LEU A 868 -3.005 -4.635 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 868 -0.864 -6.230 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 868 -0.838 -4.487 1.268 1.00 0.00 H new ATOM 0 HG LEU A 868 -3.268 -5.925 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 868 -2.365 -5.413 4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 868 -1.291 -6.525 3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 868 -0.866 -4.802 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 868 -3.678 -3.698 3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 868 -2.179 -3.088 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 868 -3.542 -3.586 1.633 1.00 0.00 H new ATOM 531 N ARG A 869 -0.642 -6.499 -1.411 1.00 0.00 N ATOM 532 CA ARG A 869 0.266 -6.572 -2.537 1.00 0.00 C ATOM 533 C ARG A 869 -0.524 -6.557 -3.838 1.00 0.00 C ATOM 534 O ARG A 869 -0.627 -5.521 -4.492 1.00 0.00 O ATOM 535 CB ARG A 869 1.107 -7.841 -2.430 1.00 0.00 C ATOM 536 CG ARG A 869 2.576 -7.499 -2.665 1.00 0.00 C ATOM 537 CD ARG A 869 3.252 -8.647 -3.409 1.00 0.00 C ATOM 538 NE ARG A 869 4.646 -8.795 -2.991 1.00 0.00 N ATOM 539 CZ ARG A 869 5.339 -9.929 -3.162 1.00 0.00 C ATOM 540 NH1 ARG A 869 4.757 -10.989 -3.739 1.00 0.00 N ATOM 541 NH2 ARG A 869 6.614 -10.003 -2.757 1.00 0.00 N ATOM 0 H ARG A 869 -0.647 -7.331 -0.821 1.00 0.00 H new ATOM 0 HA ARG A 869 0.932 -5.709 -2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 869 0.980 -8.292 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 869 0.772 -8.575 -3.163 1.00 0.00 H new ATOM 0 HG2 ARG A 869 2.658 -6.578 -3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 869 3.077 -7.324 -1.713 1.00 0.00 H new ATOM 0 HD2 ARG A 869 2.712 -9.575 -3.221 1.00 0.00 H new ATOM 0 HD3 ARG A 869 3.208 -8.465 -4.483 1.00 0.00 H new ATOM 0 HE ARG A 869 5.110 -8.001 -2.550 1.00 0.00 H new ATOM 0 HH11 ARG A 869 3.787 -10.933 -4.048 1.00 0.00 H new ATOM 0 HH12 ARG A 869 5.284 -11.852 -3.869 1.00 0.00 H new ATOM 0 HH21 ARG A 869 7.057 -9.196 -2.318 1.00 0.00 H new ATOM 0 HH22 ARG A 869 7.141 -10.866 -2.887 1.00 0.00 H new ATOM 555 N ARG A 870 -1.082 -7.710 -4.213 1.00 0.00 N ATOM 556 CA ARG A 870 -1.857 -7.825 -5.431 1.00 0.00 C ATOM 557 C ARG A 870 -2.804 -6.640 -5.553 1.00 0.00 C ATOM 558 O ARG A 870 -3.056 -6.154 -6.653 1.00 0.00 O ATOM 559 CB ARG A 870 -2.634 -9.138 -5.417 1.00 0.00 C ATOM 560 CG ARG A 870 -3.286 -9.358 -6.779 1.00 0.00 C ATOM 561 CD ARG A 870 -2.242 -9.872 -7.766 1.00 0.00 C ATOM 562 NE ARG A 870 -1.948 -11.286 -7.531 1.00 0.00 N ATOM 563 CZ ARG A 870 -0.927 -11.697 -6.766 1.00 0.00 C ATOM 564 NH1 ARG A 870 -0.125 -10.799 -6.179 1.00 0.00 N ATOM 565 NH2 ARG A 870 -0.708 -13.008 -6.589 1.00 0.00 N ATOM 0 H ARG A 870 -1.006 -8.577 -3.681 1.00 0.00 H new ATOM 0 HA ARG A 870 -1.190 -7.822 -6.293 1.00 0.00 H new ATOM 0 HB2 ARG A 870 -1.965 -9.966 -5.184 1.00 0.00 H new ATOM 0 HB3 ARG A 870 -3.395 -9.114 -4.637 1.00 0.00 H new ATOM 0 HG2 ARG A 870 -4.103 -10.074 -6.692 1.00 0.00 H new ATOM 0 HG3 ARG A 870 -3.717 -8.425 -7.142 1.00 0.00 H new ATOM 0 HD2 ARG A 870 -2.603 -9.737 -8.786 1.00 0.00 H new ATOM 0 HD3 ARG A 870 -1.328 -9.286 -7.671 1.00 0.00 H new ATOM 0 HE ARG A 870 -2.545 -11.988 -7.968 1.00 0.00 H new ATOM 0 HH11 ARG A 870 -0.291 -9.802 -6.314 1.00 0.00 H new ATOM 0 HH12 ARG A 870 0.652 -11.112 -5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 870 -1.318 -13.692 -7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 870 0.069 -13.321 -6.007 1.00 0.00 H new ATOM 579 N TYR A 871 -3.330 -6.174 -4.417 1.00 0.00 N ATOM 580 CA TYR A 871 -4.246 -5.051 -4.405 1.00 0.00 C ATOM 581 C TYR A 871 -3.503 -3.775 -4.773 1.00 0.00 C ATOM 582 O TYR A 871 -3.766 -3.180 -5.816 1.00 0.00 O ATOM 583 CB TYR A 871 -4.879 -4.928 -3.021 1.00 0.00 C ATOM 584 CG TYR A 871 -6.163 -4.135 -3.015 1.00 0.00 C ATOM 585 CD1 TYR A 871 -6.421 -3.212 -4.035 1.00 0.00 C ATOM 586 CD2 TYR A 871 -7.096 -4.322 -1.988 1.00 0.00 C ATOM 587 CE1 TYR A 871 -7.612 -2.476 -4.028 1.00 0.00 C ATOM 588 CE2 TYR A 871 -8.287 -3.586 -1.981 1.00 0.00 C ATOM 589 CZ TYR A 871 -8.545 -2.663 -3.001 1.00 0.00 C ATOM 590 OH TYR A 871 -9.706 -1.946 -2.994 1.00 0.00 O ATOM 0 H TYR A 871 -3.131 -6.564 -3.496 1.00 0.00 H new ATOM 0 HA TYR A 871 -5.035 -5.212 -5.139 1.00 0.00 H new ATOM 0 HB2 TYR A 871 -5.076 -5.926 -2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 871 -4.166 -4.456 -2.345 1.00 0.00 H new ATOM 0 HD1 TYR A 871 -5.701 -3.068 -4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 871 -6.897 -5.034 -1.201 1.00 0.00 H new ATOM 0 HE1 TYR A 871 -7.811 -1.764 -4.815 1.00 0.00 H new ATOM 0 HE2 TYR A 871 -9.007 -3.730 -1.189 1.00 0.00 H new ATOM 600 N PHE A 872 -2.572 -3.354 -3.913 1.00 0.00 N ATOM 601 CA PHE A 872 -1.798 -2.153 -4.155 1.00 0.00 C ATOM 602 C PHE A 872 -1.387 -2.089 -5.619 1.00 0.00 C ATOM 603 O PHE A 872 -2.087 -1.497 -6.437 1.00 0.00 O ATOM 604 CB PHE A 872 -0.572 -2.149 -3.247 1.00 0.00 C ATOM 605 CG PHE A 872 0.048 -0.782 -3.077 1.00 0.00 C ATOM 606 CD1 PHE A 872 0.648 -0.145 -4.169 1.00 0.00 C ATOM 607 CD2 PHE A 872 0.019 -0.151 -1.827 1.00 0.00 C ATOM 608 CE1 PHE A 872 1.221 1.123 -4.011 1.00 0.00 C ATOM 609 CE2 PHE A 872 0.591 1.117 -1.670 1.00 0.00 C ATOM 610 CZ PHE A 872 1.192 1.754 -2.762 1.00 0.00 C ATOM 0 H PHE A 872 -2.342 -3.835 -3.043 1.00 0.00 H new ATOM 0 HA PHE A 872 -2.403 -1.274 -3.931 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -0.854 -2.536 -2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 872 0.175 -2.830 -3.655 1.00 0.00 H new ATOM 0 HD1 PHE A 872 0.669 -0.631 -5.133 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -0.445 -0.643 -0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 872 1.685 1.614 -4.853 1.00 0.00 H new ATOM 0 HE2 PHE A 872 0.569 1.604 -0.706 1.00 0.00 H new ATOM 0 HZ PHE A 872 1.633 2.732 -2.641 1.00 0.00 H new ATOM 620 N VAL A 873 -0.246 -2.700 -5.947 1.00 0.00 N ATOM 621 CA VAL A 873 0.253 -2.710 -7.307 1.00 0.00 C ATOM 622 C VAL A 873 -0.915 -2.722 -8.283 1.00 0.00 C ATOM 623 O VAL A 873 -0.833 -2.133 -9.359 1.00 0.00 O ATOM 624 CB VAL A 873 1.143 -3.932 -7.513 1.00 0.00 C ATOM 625 CG1 VAL A 873 0.752 -5.020 -6.517 1.00 0.00 C ATOM 626 CG2 VAL A 873 0.965 -4.457 -8.935 1.00 0.00 C ATOM 0 H VAL A 873 0.346 -3.194 -5.279 1.00 0.00 H new ATOM 0 HA VAL A 873 0.844 -1.813 -7.489 1.00 0.00 H new ATOM 0 HB VAL A 873 2.185 -3.653 -7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 873 1.388 -5.893 -6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 873 0.879 -4.646 -5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 873 -0.290 -5.299 -6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 873 1.601 -5.330 -9.083 1.00 0.00 H new ATOM 0 HG22 VAL A 873 -0.077 -4.736 -9.092 1.00 0.00 H new ATOM 0 HG23 VAL A 873 1.244 -3.680 -9.647 1.00 0.00 H new ATOM 636 N ALA A 874 -2.004 -3.396 -7.906 1.00 0.00 N ATOM 637 CA ALA A 874 -3.180 -3.482 -8.748 1.00 0.00 C ATOM 638 C ALA A 874 -3.733 -2.087 -9.005 1.00 0.00 C ATOM 639 O ALA A 874 -3.689 -1.598 -10.131 1.00 0.00 O ATOM 640 CB ALA A 874 -4.226 -4.362 -8.070 1.00 0.00 C ATOM 0 H ALA A 874 -2.087 -3.889 -7.017 1.00 0.00 H new ATOM 0 HA ALA A 874 -2.915 -3.928 -9.706 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -5.111 -4.428 -8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -3.816 -5.360 -7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -4.499 -3.928 -7.108 1.00 0.00 H new ATOM 646 N PHE A 875 -4.254 -1.446 -7.956 1.00 0.00 N ATOM 647 CA PHE A 875 -4.811 -0.114 -8.076 1.00 0.00 C ATOM 648 C PHE A 875 -4.177 0.606 -9.258 1.00 0.00 C ATOM 649 O PHE A 875 -4.881 1.168 -10.094 1.00 0.00 O ATOM 650 CB PHE A 875 -4.569 0.656 -6.780 1.00 0.00 C ATOM 651 CG PHE A 875 -5.170 -0.007 -5.564 1.00 0.00 C ATOM 652 CD1 PHE A 875 -4.430 -0.953 -4.844 1.00 0.00 C ATOM 653 CD2 PHE A 875 -6.469 0.321 -5.157 1.00 0.00 C ATOM 654 CE1 PHE A 875 -4.988 -1.570 -3.718 1.00 0.00 C ATOM 655 CE2 PHE A 875 -7.027 -0.295 -4.031 1.00 0.00 C ATOM 656 CZ PHE A 875 -6.286 -1.240 -3.311 1.00 0.00 C ATOM 0 H PHE A 875 -4.298 -1.837 -7.015 1.00 0.00 H new ATOM 0 HA PHE A 875 -5.885 -0.179 -8.250 1.00 0.00 H new ATOM 0 HB2 PHE A 875 -3.495 0.769 -6.629 1.00 0.00 H new ATOM 0 HB3 PHE A 875 -4.984 1.659 -6.880 1.00 0.00 H new ATOM 0 HD1 PHE A 875 -3.428 -1.207 -5.158 1.00 0.00 H new ATOM 0 HD2 PHE A 875 -7.041 1.050 -5.712 1.00 0.00 H new ATOM 0 HE1 PHE A 875 -4.417 -2.300 -3.164 1.00 0.00 H new ATOM 0 HE2 PHE A 875 -8.029 -0.042 -3.718 1.00 0.00 H new ATOM 0 HZ PHE A 875 -6.716 -1.714 -2.441 1.00 0.00 H new ATOM 666 N ASP A 876 -2.844 0.589 -9.325 1.00 0.00 N ATOM 667 CA ASP A 876 -2.125 1.240 -10.401 1.00 0.00 C ATOM 668 C ASP A 876 -0.796 1.773 -9.884 1.00 0.00 C ATOM 669 O ASP A 876 -0.128 2.547 -10.567 1.00 0.00 O ATOM 670 CB ASP A 876 -2.977 2.370 -10.971 1.00 0.00 C ATOM 671 CG ASP A 876 -3.709 1.919 -12.227 1.00 0.00 C ATOM 672 OD1 ASP A 876 -3.671 0.700 -12.499 1.00 0.00 O ATOM 673 OD2 ASP A 876 -4.294 2.803 -12.891 1.00 0.00 O ATOM 0 H ASP A 876 -2.246 0.127 -8.639 1.00 0.00 H new ATOM 0 HA ASP A 876 -1.921 0.522 -11.195 1.00 0.00 H new ATOM 0 HB2 ASP A 876 -3.699 2.699 -10.223 1.00 0.00 H new ATOM 0 HB3 ASP A 876 -2.344 3.227 -11.202 1.00 0.00 H new ATOM 678 N GLY A 877 -0.413 1.358 -8.674 1.00 0.00 N ATOM 679 CA GLY A 877 0.832 1.799 -8.078 1.00 0.00 C ATOM 680 C GLY A 877 1.953 0.826 -8.418 1.00 0.00 C ATOM 681 O GLY A 877 2.050 0.357 -9.550 1.00 0.00 O ATOM 0 H GLY A 877 -0.954 0.716 -8.094 1.00 0.00 H new ATOM 0 HA2 GLY A 877 1.084 2.796 -8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 877 0.720 1.872 -6.996 1.00 0.00 H new ATOM 685 N ASP A 878 2.801 0.524 -7.432 1.00 0.00 N ATOM 686 CA ASP A 878 3.909 -0.389 -7.631 1.00 0.00 C ATOM 687 C ASP A 878 4.440 -0.855 -6.283 1.00 0.00 C ATOM 688 O ASP A 878 4.323 -0.143 -5.288 1.00 0.00 O ATOM 689 CB ASP A 878 5.005 0.310 -8.431 1.00 0.00 C ATOM 690 CG ASP A 878 4.827 0.066 -9.923 1.00 0.00 C ATOM 691 OD1 ASP A 878 4.519 -1.092 -10.276 1.00 0.00 O ATOM 692 OD2 ASP A 878 5.003 1.044 -10.683 1.00 0.00 O ATOM 0 H ASP A 878 2.734 0.904 -6.488 1.00 0.00 H new ATOM 0 HA ASP A 878 3.571 -1.262 -8.189 1.00 0.00 H new ATOM 0 HB2 ASP A 878 4.982 1.381 -8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 878 5.982 -0.054 -8.113 1.00 0.00 H new ATOM 697 N LEU A 879 5.025 -2.055 -6.252 1.00 0.00 N ATOM 698 CA LEU A 879 5.569 -2.609 -5.028 1.00 0.00 C ATOM 699 C LEU A 879 6.989 -3.101 -5.271 1.00 0.00 C ATOM 700 O LEU A 879 7.225 -3.904 -6.171 1.00 0.00 O ATOM 701 CB LEU A 879 4.677 -3.750 -4.546 1.00 0.00 C ATOM 702 CG LEU A 879 3.224 -3.284 -4.523 1.00 0.00 C ATOM 703 CD1 LEU A 879 2.414 -4.189 -3.600 1.00 0.00 C ATOM 704 CD2 LEU A 879 3.159 -1.847 -4.013 1.00 0.00 C ATOM 0 H LEU A 879 5.130 -2.657 -7.069 1.00 0.00 H new ATOM 0 HA LEU A 879 5.599 -1.838 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 879 4.783 -4.612 -5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 879 4.983 -4.070 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 879 2.811 -3.331 -5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 879 1.376 -3.856 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 879 2.460 -5.215 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 879 2.826 -4.143 -2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 879 2.121 -1.513 -3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 879 3.572 -1.800 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 879 3.737 -1.200 -4.673 1.00 0.00 H new ATOM 716 N VAL A 880 7.936 -2.617 -4.464 1.00 0.00 N ATOM 717 CA VAL A 880 9.325 -3.008 -4.594 1.00 0.00 C ATOM 718 C VAL A 880 9.717 -3.910 -3.432 1.00 0.00 C ATOM 719 O VAL A 880 9.304 -3.678 -2.298 1.00 0.00 O ATOM 720 CB VAL A 880 10.203 -1.760 -4.631 1.00 0.00 C ATOM 721 CG1 VAL A 880 11.137 -1.830 -5.835 1.00 0.00 C ATOM 722 CG2 VAL A 880 9.320 -0.521 -4.743 1.00 0.00 C ATOM 0 H VAL A 880 7.756 -1.951 -3.713 1.00 0.00 H new ATOM 0 HA VAL A 880 9.466 -3.562 -5.522 1.00 0.00 H new ATOM 0 HB VAL A 880 10.794 -1.704 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 880 11.764 -0.939 -5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 880 11.768 -2.715 -5.755 1.00 0.00 H new ATOM 0 HG13 VAL A 880 10.547 -1.886 -6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 880 9.946 0.371 -4.769 1.00 0.00 H new ATOM 0 HG22 VAL A 880 8.729 -0.577 -5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 880 8.653 -0.471 -3.882 1.00 0.00 H new ATOM 732 N GLN A 881 10.517 -4.940 -3.717 1.00 0.00 N ATOM 733 CA GLN A 881 10.958 -5.869 -2.696 1.00 0.00 C ATOM 734 C GLN A 881 11.868 -5.155 -1.707 1.00 0.00 C ATOM 735 O GLN A 881 12.795 -4.454 -2.107 1.00 0.00 O ATOM 736 CB GLN A 881 11.686 -7.037 -3.355 1.00 0.00 C ATOM 737 CG GLN A 881 10.852 -7.566 -4.518 1.00 0.00 C ATOM 738 CD GLN A 881 11.702 -7.712 -5.773 1.00 0.00 C ATOM 739 OE1 GLN A 881 12.642 -8.502 -5.799 1.00 0.00 O ATOM 740 NE2 GLN A 881 11.368 -6.945 -6.813 1.00 0.00 N ATOM 0 H GLN A 881 10.869 -5.145 -4.652 1.00 0.00 H new ATOM 0 HA GLN A 881 10.096 -6.255 -2.152 1.00 0.00 H new ATOM 0 HB2 GLN A 881 12.664 -6.715 -3.712 1.00 0.00 H new ATOM 0 HB3 GLN A 881 11.858 -7.830 -2.627 1.00 0.00 H new ATOM 0 HG2 GLN A 881 10.420 -8.531 -4.252 1.00 0.00 H new ATOM 0 HG3 GLN A 881 10.021 -6.888 -4.713 1.00 0.00 H new ATOM 0 HE21 GLN A 881 10.578 -6.304 -6.741 1.00 0.00 H new ATOM 0 HE22 GLN A 881 11.903 -7.000 -7.680 1.00 0.00 H new ATOM 749 N GLU A 882 11.603 -5.336 -0.411 1.00 0.00 N ATOM 750 CA GLU A 882 12.401 -4.710 0.625 1.00 0.00 C ATOM 751 C GLU A 882 13.804 -4.433 0.104 1.00 0.00 C ATOM 752 O GLU A 882 14.180 -3.279 -0.090 1.00 0.00 O ATOM 753 CB GLU A 882 12.449 -5.621 1.849 1.00 0.00 C ATOM 754 CG GLU A 882 13.171 -4.906 2.987 1.00 0.00 C ATOM 755 CD GLU A 882 13.739 -5.907 3.983 1.00 0.00 C ATOM 756 OE1 GLU A 882 14.036 -7.039 3.543 1.00 0.00 O ATOM 757 OE2 GLU A 882 13.866 -5.521 5.165 1.00 0.00 O ATOM 0 H GLU A 882 10.838 -5.914 -0.062 1.00 0.00 H new ATOM 0 HA GLU A 882 11.949 -3.760 0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 882 11.438 -5.888 2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 882 12.964 -6.550 1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 882 13.976 -4.292 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 882 12.481 -4.233 3.495 1.00 0.00 H new ATOM 764 N PHE A 883 14.579 -5.496 -0.123 1.00 0.00 N ATOM 765 CA PHE A 883 15.933 -5.361 -0.621 1.00 0.00 C ATOM 766 C PHE A 883 15.909 -4.829 -2.047 1.00 0.00 C ATOM 767 O PHE A 883 16.902 -4.926 -2.765 1.00 0.00 O ATOM 768 CB PHE A 883 16.633 -6.715 -0.560 1.00 0.00 C ATOM 769 CG PHE A 883 16.075 -7.727 -1.532 1.00 0.00 C ATOM 770 CD1 PHE A 883 15.022 -8.564 -1.144 1.00 0.00 C ATOM 771 CD2 PHE A 883 16.611 -7.830 -2.821 1.00 0.00 C ATOM 772 CE1 PHE A 883 14.505 -9.503 -2.044 1.00 0.00 C ATOM 773 CE2 PHE A 883 16.095 -8.769 -3.722 1.00 0.00 C ATOM 774 CZ PHE A 883 15.042 -9.606 -3.333 1.00 0.00 C ATOM 0 H PHE A 883 14.283 -6.459 0.034 1.00 0.00 H new ATOM 0 HA PHE A 883 16.484 -4.653 -0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 883 17.695 -6.575 -0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 883 16.551 -7.112 0.452 1.00 0.00 H new ATOM 0 HD1 PHE A 883 14.608 -8.485 -0.150 1.00 0.00 H new ATOM 0 HD2 PHE A 883 17.423 -7.184 -3.121 1.00 0.00 H new ATOM 0 HE1 PHE A 883 13.692 -10.148 -1.744 1.00 0.00 H new ATOM 0 HE2 PHE A 883 16.509 -8.848 -4.716 1.00 0.00 H new ATOM 0 HZ PHE A 883 14.644 -10.331 -4.027 1.00 0.00 H new ATOM 784 N ASP A 884 14.770 -4.265 -2.456 1.00 0.00 N ATOM 785 CA ASP A 884 14.623 -3.722 -3.792 1.00 0.00 C ATOM 786 C ASP A 884 13.699 -2.513 -3.757 1.00 0.00 C ATOM 787 O ASP A 884 12.487 -2.652 -3.904 1.00 0.00 O ATOM 788 CB ASP A 884 14.069 -4.800 -4.719 1.00 0.00 C ATOM 789 CG ASP A 884 15.057 -5.949 -4.868 1.00 0.00 C ATOM 790 OD1 ASP A 884 16.269 -5.677 -4.726 1.00 0.00 O ATOM 791 OD2 ASP A 884 14.581 -7.077 -5.121 1.00 0.00 O ATOM 0 H ASP A 884 13.938 -4.176 -1.872 1.00 0.00 H new ATOM 0 HA ASP A 884 15.594 -3.401 -4.169 1.00 0.00 H new ATOM 0 HB2 ASP A 884 13.125 -5.176 -4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 884 13.856 -4.369 -5.697 1.00 0.00 H new ATOM 796 N MET A 885 14.274 -1.324 -3.563 1.00 0.00 N ATOM 797 CA MET A 885 13.498 -0.102 -3.509 1.00 0.00 C ATOM 798 C MET A 885 14.292 1.043 -4.121 1.00 0.00 C ATOM 799 O MET A 885 13.720 1.935 -4.745 1.00 0.00 O ATOM 800 CB MET A 885 13.137 0.207 -2.059 1.00 0.00 C ATOM 801 CG MET A 885 14.165 -0.435 -1.131 1.00 0.00 C ATOM 802 SD MET A 885 13.652 -0.498 0.604 1.00 0.00 S ATOM 803 CE MET A 885 12.377 -1.777 0.482 1.00 0.00 C ATOM 0 H MET A 885 15.278 -1.191 -3.441 1.00 0.00 H new ATOM 0 HA MET A 885 12.579 -0.227 -4.081 1.00 0.00 H new ATOM 0 HB2 MET A 885 13.112 1.285 -1.901 1.00 0.00 H new ATOM 0 HB3 MET A 885 12.140 -0.172 -1.833 1.00 0.00 H new ATOM 0 HG2 MET A 885 14.368 -1.449 -1.476 1.00 0.00 H new ATOM 0 HG3 MET A 885 15.101 0.120 -1.203 1.00 0.00 H new ATOM 0 HE1 MET A 885 12.473 -2.467 1.320 1.00 0.00 H new ATOM 0 HE2 MET A 885 11.392 -1.312 0.506 1.00 0.00 H new ATOM 0 HE3 MET A 885 12.498 -2.323 -0.454 1.00 0.00 H new ATOM 813 N THR A 886 15.614 1.017 -3.943 1.00 0.00 N ATOM 814 CA THR A 886 16.475 2.052 -4.480 1.00 0.00 C ATOM 815 C THR A 886 15.672 2.982 -5.377 1.00 0.00 C ATOM 816 O THR A 886 15.691 4.197 -5.193 1.00 0.00 O ATOM 817 CB THR A 886 17.620 1.407 -5.257 1.00 0.00 C ATOM 818 OG1 THR A 886 17.157 1.003 -6.526 1.00 0.00 O ATOM 819 CG2 THR A 886 18.132 0.190 -4.491 1.00 0.00 C ATOM 0 H THR A 886 16.105 0.286 -3.429 1.00 0.00 H new ATOM 0 HA THR A 886 16.892 2.641 -3.663 1.00 0.00 H new ATOM 0 HB THR A 886 18.429 2.127 -5.378 1.00 0.00 H new ATOM 0 HG1 THR A 886 17.892 0.590 -7.026 1.00 0.00 H new ATOM 0 HG21 THR A 886 18.950 -0.271 -5.045 1.00 0.00 H new ATOM 0 HG22 THR A 886 18.489 0.502 -3.510 1.00 0.00 H new ATOM 0 HG23 THR A 886 17.323 -0.531 -4.371 1.00 0.00 H new ATOM 827 N SER A 887 14.962 2.407 -6.351 1.00 0.00 N ATOM 828 CA SER A 887 14.156 3.185 -7.269 1.00 0.00 C ATOM 829 C SER A 887 12.717 3.241 -6.774 1.00 0.00 C ATOM 830 O SER A 887 11.924 4.048 -7.254 1.00 0.00 O ATOM 831 CB SER A 887 14.224 2.560 -8.660 1.00 0.00 C ATOM 832 OG SER A 887 15.111 3.304 -9.465 1.00 0.00 O ATOM 0 H SER A 887 14.935 1.401 -6.517 1.00 0.00 H new ATOM 0 HA SER A 887 14.541 4.203 -7.322 1.00 0.00 H new ATOM 0 HB2 SER A 887 14.560 1.525 -8.590 1.00 0.00 H new ATOM 0 HB3 SER A 887 13.232 2.543 -9.112 1.00 0.00 H new ATOM 0 HG SER A 887 15.157 2.903 -10.358 1.00 0.00 H new ATOM 838 N ALA A 888 12.383 2.382 -5.808 1.00 0.00 N ATOM 839 CA ALA A 888 11.046 2.337 -5.253 1.00 0.00 C ATOM 840 C ALA A 888 10.564 3.750 -4.957 1.00 0.00 C ATOM 841 O ALA A 888 11.286 4.717 -5.192 1.00 0.00 O ATOM 842 CB ALA A 888 11.050 1.490 -3.984 1.00 0.00 C ATOM 0 H ALA A 888 13.030 1.709 -5.398 1.00 0.00 H new ATOM 0 HA ALA A 888 10.364 1.884 -5.973 1.00 0.00 H new ATOM 0 HB1 ALA A 888 10.044 1.456 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 888 11.378 0.478 -4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 888 11.731 1.930 -3.255 1.00 0.00 H new ATOM 848 N THR A 889 9.339 3.870 -4.440 1.00 0.00 N ATOM 849 CA THR A 889 8.772 5.164 -4.116 1.00 0.00 C ATOM 850 C THR A 889 8.198 5.141 -2.707 1.00 0.00 C ATOM 851 O THR A 889 8.372 6.091 -1.947 1.00 0.00 O ATOM 852 CB THR A 889 7.691 5.514 -5.135 1.00 0.00 C ATOM 853 OG1 THR A 889 7.765 6.887 -5.445 1.00 0.00 O ATOM 854 CG2 THR A 889 6.318 5.198 -4.548 1.00 0.00 C ATOM 0 H THR A 889 8.726 3.080 -4.239 1.00 0.00 H new ATOM 0 HA THR A 889 9.551 5.925 -4.155 1.00 0.00 H new ATOM 0 HB THR A 889 7.842 4.928 -6.042 1.00 0.00 H new ATOM 0 HG21 THR A 889 5.545 5.448 -5.275 1.00 0.00 H new ATOM 0 HG22 THR A 889 6.261 4.136 -4.308 1.00 0.00 H new ATOM 0 HG23 THR A 889 6.166 5.784 -3.642 1.00 0.00 H new ATOM 862 N HIS A 890 7.511 4.050 -2.358 1.00 0.00 N ATOM 863 CA HIS A 890 6.916 3.913 -1.044 1.00 0.00 C ATOM 864 C HIS A 890 7.418 2.641 -0.375 1.00 0.00 C ATOM 865 O HIS A 890 7.925 1.744 -1.045 1.00 0.00 O ATOM 866 CB HIS A 890 5.395 3.890 -1.176 1.00 0.00 C ATOM 867 CG HIS A 890 4.812 5.257 -1.404 1.00 0.00 C ATOM 868 ND1 HIS A 890 5.366 6.259 -2.168 1.00 0.00 N ATOM 869 CD2 HIS A 890 3.634 5.727 -0.889 1.00 0.00 C ATOM 870 CE1 HIS A 890 4.532 7.313 -2.111 1.00 0.00 C ATOM 871 NE2 HIS A 890 3.463 7.038 -1.344 1.00 0.00 N ATOM 0 HA HIS A 890 7.203 4.761 -0.423 1.00 0.00 H new ATOM 0 HB2 HIS A 890 5.116 3.238 -2.004 1.00 0.00 H new ATOM 0 HB3 HIS A 890 4.962 3.461 -0.272 1.00 0.00 H new ATOM 0 HD2 HIS A 890 2.958 5.183 -0.246 1.00 0.00 H new ATOM 0 HE1 HIS A 890 4.699 8.254 -2.614 1.00 0.00 H new ATOM 0 HE2 HIS A 890 2.683 7.661 -1.136 1.00 0.00 H new ATOM 879 N VAL A 891 7.277 2.567 0.950 1.00 0.00 N ATOM 880 CA VAL A 891 7.716 1.408 1.702 1.00 0.00 C ATOM 881 C VAL A 891 6.853 1.244 2.945 1.00 0.00 C ATOM 882 O VAL A 891 6.764 2.154 3.766 1.00 0.00 O ATOM 883 CB VAL A 891 9.185 1.576 2.082 1.00 0.00 C ATOM 884 CG1 VAL A 891 10.058 1.347 0.851 1.00 0.00 C ATOM 885 CG2 VAL A 891 9.415 2.988 2.613 1.00 0.00 C ATOM 0 H VAL A 891 6.859 3.303 1.519 1.00 0.00 H new ATOM 0 HA VAL A 891 7.613 0.512 1.091 1.00 0.00 H new ATOM 0 HB VAL A 891 9.446 0.851 2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 891 11.107 1.467 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 891 9.894 0.339 0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 891 9.797 2.072 0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 891 10.464 3.108 2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 891 9.154 3.713 1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 891 8.792 3.152 3.492 1.00 0.00 H new ATOM 895 N LEU A 892 6.217 0.078 3.082 1.00 0.00 N ATOM 896 CA LEU A 892 5.366 -0.200 4.222 1.00 0.00 C ATOM 897 C LEU A 892 6.222 -0.506 5.443 1.00 0.00 C ATOM 898 O LEU A 892 6.996 -1.460 5.437 1.00 0.00 O ATOM 899 CB LEU A 892 4.448 -1.374 3.896 1.00 0.00 C ATOM 900 CG LEU A 892 3.009 -1.009 4.252 1.00 0.00 C ATOM 901 CD1 LEU A 892 2.100 -1.310 3.064 1.00 0.00 C ATOM 902 CD2 LEU A 892 2.560 -1.828 5.458 1.00 0.00 C ATOM 0 H LEU A 892 6.281 -0.686 2.410 1.00 0.00 H new ATOM 0 HA LEU A 892 4.752 0.673 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 892 4.520 -1.623 2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 892 4.759 -2.258 4.453 1.00 0.00 H new ATOM 0 HG LEU A 892 2.952 0.052 4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 892 1.072 -1.050 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 892 2.421 -0.724 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 892 2.156 -2.371 2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 892 1.533 -1.568 5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 892 2.617 -2.890 5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 892 3.210 -1.613 6.306 1.00 0.00 H new ATOM 914 N GLY A 893 6.080 0.305 6.493 1.00 0.00 N ATOM 915 CA GLY A 893 6.841 0.113 7.711 1.00 0.00 C ATOM 916 C GLY A 893 8.333 0.138 7.411 1.00 0.00 C ATOM 917 O GLY A 893 8.839 -0.719 6.689 1.00 0.00 O ATOM 0 H GLY A 893 5.442 1.100 6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 893 6.594 0.895 8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 893 6.571 -0.838 8.170 1.00 0.00 H new ATOM 921 N SER A 894 9.039 1.125 7.968 1.00 0.00 N ATOM 922 CA SER A 894 10.466 1.256 7.757 1.00 0.00 C ATOM 923 C SER A 894 10.734 1.827 6.372 1.00 0.00 C ATOM 924 O SER A 894 9.823 1.931 5.554 1.00 0.00 O ATOM 925 CB SER A 894 11.131 -0.108 7.918 1.00 0.00 C ATOM 926 OG SER A 894 11.404 -0.340 9.282 1.00 0.00 O ATOM 0 H SER A 894 8.635 1.843 8.569 1.00 0.00 H new ATOM 0 HA SER A 894 10.885 1.939 8.496 1.00 0.00 H new ATOM 0 HB2 SER A 894 10.480 -0.890 7.528 1.00 0.00 H new ATOM 0 HB3 SER A 894 12.054 -0.145 7.340 1.00 0.00 H new ATOM 0 HG SER A 894 11.830 -1.217 9.386 1.00 0.00 H new ATOM 932 N ARG A 895 11.991 2.195 6.110 1.00 0.00 N ATOM 933 CA ARG A 895 12.372 2.752 4.828 1.00 0.00 C ATOM 934 C ARG A 895 13.788 2.317 4.477 1.00 0.00 C ATOM 935 O ARG A 895 14.110 2.131 3.306 1.00 0.00 O ATOM 936 CB ARG A 895 12.274 4.274 4.886 1.00 0.00 C ATOM 937 CG ARG A 895 13.093 4.792 6.065 1.00 0.00 C ATOM 938 CD ARG A 895 13.355 6.285 5.886 1.00 0.00 C ATOM 939 NE ARG A 895 14.776 6.591 6.051 1.00 0.00 N ATOM 940 CZ ARG A 895 15.274 7.827 5.906 1.00 0.00 C ATOM 941 NH1 ARG A 895 14.459 8.845 5.597 1.00 0.00 N ATOM 942 NH2 ARG A 895 16.586 8.045 6.068 1.00 0.00 N ATOM 0 H ARG A 895 12.758 2.113 6.777 1.00 0.00 H new ATOM 0 HA ARG A 895 11.698 2.386 4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 895 12.641 4.708 3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 895 11.233 4.578 4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 895 12.559 4.615 6.998 1.00 0.00 H new ATOM 0 HG3 ARG A 895 14.037 4.252 6.131 1.00 0.00 H new ATOM 0 HD2 ARG A 895 13.024 6.600 4.896 1.00 0.00 H new ATOM 0 HD3 ARG A 895 12.771 6.850 6.612 1.00 0.00 H new ATOM 0 HE ARG A 895 15.415 5.832 6.286 1.00 0.00 H new ATOM 0 HH11 ARG A 895 13.460 8.679 5.472 1.00 0.00 H new ATOM 0 HH12 ARG A 895 14.837 9.786 5.487 1.00 0.00 H new ATOM 0 HH21 ARG A 895 17.207 7.270 6.302 1.00 0.00 H new ATOM 0 HH22 ARG A 895 16.964 8.986 5.957 1.00 0.00 H new ATOM 956 N ASP A 896 14.634 2.153 5.497 1.00 0.00 N ATOM 957 CA ASP A 896 16.008 1.741 5.292 1.00 0.00 C ATOM 958 C ASP A 896 16.187 1.239 3.866 1.00 0.00 C ATOM 959 O ASP A 896 16.751 1.938 3.027 1.00 0.00 O ATOM 960 CB ASP A 896 16.368 0.652 6.298 1.00 0.00 C ATOM 961 CG ASP A 896 17.560 -0.161 5.816 1.00 0.00 C ATOM 962 OD1 ASP A 896 18.598 0.471 5.526 1.00 0.00 O ATOM 963 OD2 ASP A 896 17.412 -1.400 5.747 1.00 0.00 O ATOM 0 H ASP A 896 14.382 2.302 6.474 1.00 0.00 H new ATOM 0 HA ASP A 896 16.674 2.591 5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 896 16.598 1.104 7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 896 15.512 -0.005 6.450 1.00 0.00 H new ATOM 968 N LYS A 897 15.706 0.024 3.593 1.00 0.00 N ATOM 969 CA LYS A 897 15.817 -0.562 2.273 1.00 0.00 C ATOM 970 C LYS A 897 15.746 0.530 1.214 1.00 0.00 C ATOM 971 O LYS A 897 16.382 0.425 0.168 1.00 0.00 O ATOM 972 CB LYS A 897 14.698 -1.580 2.074 1.00 0.00 C ATOM 973 CG LYS A 897 13.758 -1.543 3.274 1.00 0.00 C ATOM 974 CD LYS A 897 12.789 -0.374 3.126 1.00 0.00 C ATOM 975 CE LYS A 897 12.149 -0.068 4.478 1.00 0.00 C ATOM 976 NZ LYS A 897 10.752 0.364 4.315 1.00 0.00 N ATOM 0 H LYS A 897 15.236 -0.568 4.278 1.00 0.00 H new ATOM 0 HA LYS A 897 16.776 -1.071 2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 897 14.147 -1.357 1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 897 15.117 -2.579 1.958 1.00 0.00 H new ATOM 0 HG2 LYS A 897 13.206 -2.480 3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 897 14.331 -1.440 4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 897 13.317 0.504 2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 897 12.019 -0.617 2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 897 12.188 -0.954 5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 897 12.718 0.711 4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 897 10.152 -0.135 5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 897 10.685 1.389 4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 897 10.431 0.144 3.351 1.00 0.00 H new ATOM 990 N ASN A 898 14.969 1.580 1.489 1.00 0.00 N ATOM 991 CA ASN A 898 14.821 2.683 0.560 1.00 0.00 C ATOM 992 C ASN A 898 14.301 3.911 1.293 1.00 0.00 C ATOM 993 O ASN A 898 13.097 4.050 1.501 1.00 0.00 O ATOM 994 CB ASN A 898 13.868 2.278 -0.560 1.00 0.00 C ATOM 995 CG ASN A 898 14.514 2.483 -1.923 1.00 0.00 C ATOM 996 OD1 ASN A 898 15.695 2.197 -2.101 1.00 0.00 O ATOM 997 ND2 ASN A 898 13.734 2.978 -2.887 1.00 0.00 N ATOM 0 H ASN A 898 14.435 1.682 2.352 1.00 0.00 H new ATOM 0 HA ASN A 898 15.790 2.929 0.125 1.00 0.00 H new ATOM 0 HB2 ASN A 898 13.584 1.232 -0.441 1.00 0.00 H new ATOM 0 HB3 ASN A 898 12.953 2.866 -0.495 1.00 0.00 H new ATOM 0 HD21 ASN A 898 14.114 3.134 -3.821 1.00 0.00 H new ATOM 0 HD22 ASN A 898 12.758 3.200 -2.690 1.00 0.00 H new ATOM 1004 N PRO A 899 15.212 4.805 1.684 1.00 0.00 N ATOM 1005 CA PRO A 899 14.903 6.031 2.388 1.00 0.00 C ATOM 1006 C PRO A 899 14.243 7.016 1.434 1.00 0.00 C ATOM 1007 O PRO A 899 13.681 8.020 1.867 1.00 0.00 O ATOM 1008 CB PRO A 899 16.253 6.557 2.870 1.00 0.00 C ATOM 1009 CG PRO A 899 17.217 6.043 1.801 1.00 0.00 C ATOM 1010 CD PRO A 899 16.635 4.674 1.455 1.00 0.00 C ATOM 0 HA PRO A 899 14.212 5.881 3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 899 16.264 7.645 2.935 1.00 0.00 H new ATOM 0 HB3 PRO A 899 16.506 6.176 3.860 1.00 0.00 H new ATOM 0 HG2 PRO A 899 17.247 6.701 0.933 1.00 0.00 H new ATOM 0 HG3 PRO A 899 18.237 5.966 2.178 1.00 0.00 H new ATOM 0 HD2 PRO A 899 16.845 4.406 0.420 1.00 0.00 H new ATOM 0 HD3 PRO A 899 17.065 3.892 2.081 1.00 0.00 H new ATOM 1018 N ALA A 900 14.313 6.727 0.133 1.00 0.00 N ATOM 1019 CA ALA A 900 13.725 7.588 -0.874 1.00 0.00 C ATOM 1020 C ALA A 900 12.267 7.209 -1.089 1.00 0.00 C ATOM 1021 O ALA A 900 11.571 7.838 -1.883 1.00 0.00 O ATOM 1022 CB ALA A 900 14.515 7.461 -2.174 1.00 0.00 C ATOM 0 H ALA A 900 14.775 5.898 -0.241 1.00 0.00 H new ATOM 0 HA ALA A 900 13.764 8.625 -0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 900 14.074 8.108 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 900 15.550 7.757 -2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 900 14.486 6.427 -2.518 1.00 0.00 H new ATOM 1028 N ALA A 901 11.806 6.176 -0.379 1.00 0.00 N ATOM 1029 CA ALA A 901 10.436 5.719 -0.497 1.00 0.00 C ATOM 1030 C ALA A 901 9.573 6.399 0.556 1.00 0.00 C ATOM 1031 O ALA A 901 9.903 7.487 1.023 1.00 0.00 O ATOM 1032 CB ALA A 901 10.392 4.202 -0.335 1.00 0.00 C ATOM 0 H ALA A 901 12.371 5.644 0.284 1.00 0.00 H new ATOM 0 HA ALA A 901 10.045 5.978 -1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 901 9.362 3.856 -0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 901 10.999 3.735 -1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 901 10.783 3.929 0.645 1.00 0.00 H new ATOM 1038 N GLN A 902 8.464 5.755 0.929 1.00 0.00 N ATOM 1039 CA GLN A 902 7.561 6.302 1.922 1.00 0.00 C ATOM 1040 C GLN A 902 7.349 5.291 3.039 1.00 0.00 C ATOM 1041 O GLN A 902 7.084 4.119 2.778 1.00 0.00 O ATOM 1042 CB GLN A 902 6.235 6.660 1.258 1.00 0.00 C ATOM 1043 CG GLN A 902 6.266 8.119 0.812 1.00 0.00 C ATOM 1044 CD GLN A 902 6.723 9.024 1.947 1.00 0.00 C ATOM 1045 OE1 GLN A 902 7.302 10.081 1.706 1.00 0.00 O ATOM 1046 NE2 GLN A 902 6.461 8.606 3.188 1.00 0.00 N ATOM 0 H GLN A 902 8.177 4.852 0.552 1.00 0.00 H new ATOM 0 HA GLN A 902 7.992 7.205 2.354 1.00 0.00 H new ATOM 0 HB2 GLN A 902 6.058 6.010 0.401 1.00 0.00 H new ATOM 0 HB3 GLN A 902 5.412 6.499 1.955 1.00 0.00 H new ATOM 0 HG2 GLN A 902 6.938 8.229 -0.039 1.00 0.00 H new ATOM 0 HG3 GLN A 902 5.274 8.422 0.477 1.00 0.00 H new ATOM 0 HE21 GLN A 902 5.977 7.720 3.336 1.00 0.00 H new ATOM 0 HE22 GLN A 902 6.745 9.172 3.987 1.00 0.00 H new ATOM 1055 N GLN A 903 7.466 5.746 4.289 1.00 0.00 N ATOM 1056 CA GLN A 903 7.288 4.881 5.437 1.00 0.00 C ATOM 1057 C GLN A 903 5.817 4.840 5.830 1.00 0.00 C ATOM 1058 O GLN A 903 5.453 5.268 6.923 1.00 0.00 O ATOM 1059 CB GLN A 903 8.142 5.391 6.594 1.00 0.00 C ATOM 1060 CG GLN A 903 9.589 4.950 6.392 1.00 0.00 C ATOM 1061 CD GLN A 903 10.528 6.148 6.399 1.00 0.00 C ATOM 1062 OE1 GLN A 903 11.086 6.495 7.437 1.00 0.00 O ATOM 1063 NE2 GLN A 903 10.700 6.781 5.236 1.00 0.00 N ATOM 0 H GLN A 903 7.684 6.715 4.523 1.00 0.00 H new ATOM 0 HA GLN A 903 7.605 3.869 5.187 1.00 0.00 H new ATOM 0 HB2 GLN A 903 8.086 6.478 6.649 1.00 0.00 H new ATOM 0 HB3 GLN A 903 7.761 5.004 7.539 1.00 0.00 H new ATOM 0 HG2 GLN A 903 9.875 4.254 7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 903 9.682 4.416 5.447 1.00 0.00 H new ATOM 0 HE21 GLN A 903 10.214 6.454 4.401 1.00 0.00 H new ATOM 0 HE22 GLN A 903 11.317 7.591 5.183 1.00 0.00 H new ATOM 1072 N VAL A 904 4.973 4.323 4.935 1.00 0.00 N ATOM 1073 CA VAL A 904 3.550 4.229 5.191 1.00 0.00 C ATOM 1074 C VAL A 904 3.259 2.992 6.028 1.00 0.00 C ATOM 1075 O VAL A 904 4.135 2.153 6.226 1.00 0.00 O ATOM 1076 CB VAL A 904 2.798 4.173 3.864 1.00 0.00 C ATOM 1077 CG1 VAL A 904 3.742 4.551 2.727 1.00 0.00 C ATOM 1078 CG2 VAL A 904 2.270 2.759 3.638 1.00 0.00 C ATOM 0 H VAL A 904 5.260 3.964 4.025 1.00 0.00 H new ATOM 0 HA VAL A 904 3.217 5.106 5.746 1.00 0.00 H new ATOM 0 HB VAL A 904 1.963 4.873 3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 904 3.205 4.511 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 904 4.119 5.561 2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 904 4.578 3.852 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 904 1.733 2.718 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 904 3.105 2.059 3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 904 1.595 2.489 4.450 1.00 0.00 H new ATOM 1088 N SER A 905 2.023 2.880 6.521 1.00 0.00 N ATOM 1089 CA SER A 905 1.624 1.747 7.332 1.00 0.00 C ATOM 1090 C SER A 905 0.382 1.098 6.738 1.00 0.00 C ATOM 1091 O SER A 905 -0.042 1.453 5.641 1.00 0.00 O ATOM 1092 CB SER A 905 1.360 2.213 8.761 1.00 0.00 C ATOM 1093 OG SER A 905 -0.023 2.420 8.939 1.00 0.00 O ATOM 0 H SER A 905 1.285 3.567 6.367 1.00 0.00 H new ATOM 0 HA SER A 905 2.424 1.007 7.347 1.00 0.00 H new ATOM 0 HB2 SER A 905 1.722 1.469 9.470 1.00 0.00 H new ATOM 0 HB3 SER A 905 1.905 3.135 8.961 1.00 0.00 H new ATOM 0 HG SER A 905 -0.244 2.354 9.892 1.00 0.00 H new ATOM 1099 N PRO A 906 -0.201 0.144 7.468 1.00 0.00 N ATOM 1100 CA PRO A 906 -1.388 -0.579 7.066 1.00 0.00 C ATOM 1101 C PRO A 906 -2.601 0.336 7.164 1.00 0.00 C ATOM 1102 O PRO A 906 -3.581 0.150 6.445 1.00 0.00 O ATOM 1103 CB PRO A 906 -1.495 -1.737 8.055 1.00 0.00 C ATOM 1104 CG PRO A 906 -0.858 -1.162 9.319 1.00 0.00 C ATOM 1105 CD PRO A 906 0.271 -0.298 8.762 1.00 0.00 C ATOM 0 HA PRO A 906 -1.340 -0.935 6.037 1.00 0.00 H new ATOM 0 HB2 PRO A 906 -2.531 -2.032 8.222 1.00 0.00 H new ATOM 0 HB3 PRO A 906 -0.965 -2.621 7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 906 -1.569 -0.574 9.900 1.00 0.00 H new ATOM 0 HG3 PRO A 906 -0.482 -1.946 9.976 1.00 0.00 H new ATOM 0 HD2 PRO A 906 0.480 0.548 9.416 1.00 0.00 H new ATOM 0 HD3 PRO A 906 1.196 -0.867 8.672 1.00 0.00 H new ATOM 1113 N GLU A 907 -2.534 1.326 8.057 1.00 0.00 N ATOM 1114 CA GLU A 907 -3.626 2.261 8.242 1.00 0.00 C ATOM 1115 C GLU A 907 -3.673 3.241 7.078 1.00 0.00 C ATOM 1116 O GLU A 907 -4.719 3.819 6.791 1.00 0.00 O ATOM 1117 CB GLU A 907 -3.443 2.999 9.564 1.00 0.00 C ATOM 1118 CG GLU A 907 -4.297 2.335 10.640 1.00 0.00 C ATOM 1119 CD GLU A 907 -3.426 1.783 11.760 1.00 0.00 C ATOM 1120 OE1 GLU A 907 -2.908 0.660 11.575 1.00 0.00 O ATOM 1121 OE2 GLU A 907 -3.295 2.493 12.780 1.00 0.00 O ATOM 0 H GLU A 907 -1.729 1.494 8.661 1.00 0.00 H new ATOM 0 HA GLU A 907 -4.572 1.719 8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 907 -2.393 2.985 9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 907 -3.729 4.045 9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 907 -5.004 3.058 11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 907 -4.883 1.529 10.199 1.00 0.00 H new ATOM 1128 N TRP A 908 -2.534 3.428 6.406 1.00 0.00 N ATOM 1129 CA TRP A 908 -2.456 4.335 5.279 1.00 0.00 C ATOM 1130 C TRP A 908 -3.284 3.795 4.121 1.00 0.00 C ATOM 1131 O TRP A 908 -4.154 4.488 3.601 1.00 0.00 O ATOM 1132 CB TRP A 908 -0.997 4.507 4.867 1.00 0.00 C ATOM 1133 CG TRP A 908 -0.775 5.422 3.705 1.00 0.00 C ATOM 1134 CD1 TRP A 908 -0.816 6.771 3.754 1.00 0.00 C ATOM 1135 CD2 TRP A 908 -0.478 5.083 2.316 1.00 0.00 C ATOM 1136 NE1 TRP A 908 -0.566 7.287 2.500 1.00 0.00 N ATOM 1137 CE2 TRP A 908 -0.351 6.287 1.573 1.00 0.00 C ATOM 1138 CE3 TRP A 908 -0.304 3.880 1.607 1.00 0.00 C ATOM 1139 CZ2 TRP A 908 -0.067 6.300 0.204 1.00 0.00 C ATOM 1140 CZ3 TRP A 908 -0.018 3.882 0.234 1.00 0.00 C ATOM 1141 CH2 TRP A 908 0.100 5.087 -0.469 1.00 0.00 C ATOM 0 H TRP A 908 -1.657 2.958 6.630 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.858 5.308 5.562 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.435 4.885 5.721 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.585 3.528 4.623 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -1.014 7.356 4.640 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -0.543 8.284 2.284 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.392 2.939 2.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 0.022 7.236 -0.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 0.113 2.945 -0.286 1.00 0.00 H new ATOM 0 HH2 TRP A 908 0.319 5.079 -1.527 1.00 0.00 H new ATOM 1152 N ILE A 909 -3.009 2.552 3.719 1.00 0.00 N ATOM 1153 CA ILE A 909 -3.727 1.923 2.628 1.00 0.00 C ATOM 1154 C ILE A 909 -5.221 2.166 2.787 1.00 0.00 C ATOM 1155 O ILE A 909 -5.871 2.664 1.871 1.00 0.00 O ATOM 1156 CB ILE A 909 -3.420 0.428 2.613 1.00 0.00 C ATOM 1157 CG1 ILE A 909 -2.187 0.170 1.752 1.00 0.00 C ATOM 1158 CG2 ILE A 909 -4.612 -0.330 2.036 1.00 0.00 C ATOM 1159 CD1 ILE A 909 -1.131 -0.558 2.579 1.00 0.00 C ATOM 0 H ILE A 909 -2.289 1.965 4.141 1.00 0.00 H new ATOM 0 HA ILE A 909 -3.408 2.355 1.680 1.00 0.00 H new ATOM 0 HB ILE A 909 -3.230 0.086 3.630 1.00 0.00 H new ATOM 0 HG12 ILE A 909 -2.457 -0.427 0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 909 -1.786 1.113 1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 909 -4.393 -1.398 2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 909 -5.493 -0.146 2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 909 -4.803 0.012 1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 909 -0.250 -0.742 1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 909 -0.853 0.056 3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 909 -1.534 -1.508 2.929 1.00 0.00 H new ATOM 1171 N TRP A 910 -5.765 1.814 3.954 1.00 0.00 N ATOM 1172 CA TRP A 910 -7.177 1.999 4.222 1.00 0.00 C ATOM 1173 C TRP A 910 -7.569 3.446 3.959 1.00 0.00 C ATOM 1174 O TRP A 910 -8.295 3.733 3.009 1.00 0.00 O ATOM 1175 CB TRP A 910 -7.475 1.612 5.668 1.00 0.00 C ATOM 1176 CG TRP A 910 -6.951 0.275 6.082 1.00 0.00 C ATOM 1177 CD1 TRP A 910 -6.218 0.033 7.190 1.00 0.00 C ATOM 1178 CD2 TRP A 910 -7.104 -1.016 5.416 1.00 0.00 C ATOM 1179 NE1 TRP A 910 -5.908 -1.309 7.255 1.00 0.00 N ATOM 1180 CE2 TRP A 910 -6.431 -2.004 6.184 1.00 0.00 C ATOM 1181 CE3 TRP A 910 -7.742 -1.452 4.241 1.00 0.00 C ATOM 1182 CZ2 TRP A 910 -6.392 -3.350 5.809 1.00 0.00 C ATOM 1183 CZ3 TRP A 910 -7.710 -2.800 3.856 1.00 0.00 C ATOM 1184 CH2 TRP A 910 -7.037 -3.749 4.635 1.00 0.00 C ATOM 0 H TRP A 910 -5.241 1.399 4.724 1.00 0.00 H new ATOM 0 HA TRP A 910 -7.762 1.360 3.561 1.00 0.00 H new ATOM 0 HB2 TRP A 910 -7.053 2.371 6.326 1.00 0.00 H new ATOM 0 HB3 TRP A 910 -8.555 1.625 5.817 1.00 0.00 H new ATOM 0 HD1 TRP A 910 -5.920 0.777 7.914 1.00 0.00 H new ATOM 0 HE1 TRP A 910 -5.360 -1.735 8.002 1.00 0.00 H new ATOM 0 HE3 TRP A 910 -8.266 -0.736 3.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 910 -5.870 -4.073 6.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 910 -8.209 -3.109 2.950 1.00 0.00 H new ATOM 0 HH2 TRP A 910 -7.016 -4.785 4.330 1.00 0.00 H new ATOM 1195 N ALA A 911 -7.087 4.359 4.805 1.00 0.00 N ATOM 1196 CA ALA A 911 -7.388 5.769 4.662 1.00 0.00 C ATOM 1197 C ALA A 911 -7.287 6.172 3.198 1.00 0.00 C ATOM 1198 O ALA A 911 -8.136 6.903 2.693 1.00 0.00 O ATOM 1199 CB ALA A 911 -6.421 6.585 5.515 1.00 0.00 C ATOM 0 H ALA A 911 -6.484 4.137 5.597 1.00 0.00 H new ATOM 0 HA ALA A 911 -8.405 5.963 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 911 -6.647 7.646 5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 911 -6.525 6.296 6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 911 -5.399 6.397 5.187 1.00 0.00 H new ATOM 1205 N CYS A 912 -6.244 5.692 2.517 1.00 0.00 N ATOM 1206 CA CYS A 912 -6.032 5.999 1.117 1.00 0.00 C ATOM 1207 C CYS A 912 -7.139 5.369 0.283 1.00 0.00 C ATOM 1208 O CYS A 912 -7.869 6.071 -0.413 1.00 0.00 O ATOM 1209 CB CYS A 912 -4.665 5.480 0.683 1.00 0.00 C ATOM 1210 SG CYS A 912 -3.419 6.077 1.852 1.00 0.00 S ATOM 0 H CYS A 912 -5.533 5.085 2.924 1.00 0.00 H new ATOM 0 HA CYS A 912 -6.057 7.078 0.967 1.00 0.00 H new ATOM 0 HB2 CYS A 912 -4.666 4.390 0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 912 -4.433 5.824 -0.325 1.00 0.00 H new ATOM 0 HG CYS A 912 -2.245 5.650 1.491 1.00 0.00 H new ATOM 1216 N ILE A 913 -7.263 4.042 0.355 1.00 0.00 N ATOM 1217 CA ILE A 913 -8.279 3.325 -0.389 1.00 0.00 C ATOM 1218 C ILE A 913 -9.550 4.161 -0.462 1.00 0.00 C ATOM 1219 O ILE A 913 -10.027 4.474 -1.551 1.00 0.00 O ATOM 1220 CB ILE A 913 -8.552 1.983 0.285 1.00 0.00 C ATOM 1221 CG1 ILE A 913 -7.232 1.255 0.522 1.00 0.00 C ATOM 1222 CG2 ILE A 913 -9.446 1.135 -0.615 1.00 0.00 C ATOM 1223 CD1 ILE A 913 -7.506 -0.094 1.179 1.00 0.00 C ATOM 0 H ILE A 913 -6.664 3.447 0.927 1.00 0.00 H new ATOM 0 HA ILE A 913 -7.929 3.141 -1.405 1.00 0.00 H new ATOM 0 HB ILE A 913 -9.051 2.150 1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 913 -6.709 1.111 -0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 913 -6.582 1.856 1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 913 -9.641 0.176 -0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 913 -10.389 1.655 -0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 913 -8.947 0.967 -1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 913 -6.563 -0.614 1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 913 -8.011 0.061 2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 913 -8.140 -0.695 0.526 1.00 0.00 H new ATOM 1235 N ARG A 914 -10.097 4.522 0.701 1.00 0.00 N ATOM 1236 CA ARG A 914 -11.307 5.316 0.763 1.00 0.00 C ATOM 1237 C ARG A 914 -11.043 6.702 0.192 1.00 0.00 C ATOM 1238 O ARG A 914 -11.674 7.105 -0.783 1.00 0.00 O ATOM 1239 CB ARG A 914 -11.779 5.409 2.211 1.00 0.00 C ATOM 1240 CG ARG A 914 -13.305 5.392 2.250 1.00 0.00 C ATOM 1241 CD ARG A 914 -13.847 6.616 1.517 1.00 0.00 C ATOM 1242 NE ARG A 914 -14.996 7.184 2.221 1.00 0.00 N ATOM 1243 CZ ARG A 914 -14.871 7.954 3.311 1.00 0.00 C ATOM 1244 NH1 ARG A 914 -13.654 8.233 3.799 1.00 0.00 N ATOM 1245 NH2 ARG A 914 -15.963 8.445 3.914 1.00 0.00 N ATOM 0 H ARG A 914 -9.712 4.271 1.612 1.00 0.00 H new ATOM 0 HA ARG A 914 -12.089 4.843 0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 914 -11.380 4.575 2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 914 -11.403 6.324 2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 914 -13.681 4.481 1.785 1.00 0.00 H new ATOM 0 HG3 ARG A 914 -13.653 5.390 3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 914 -13.063 7.368 1.428 1.00 0.00 H new ATOM 0 HD3 ARG A 914 -14.138 6.338 0.504 1.00 0.00 H new ATOM 0 HE ARG A 914 -15.932 6.986 1.868 1.00 0.00 H new ATOM 0 HH11 ARG A 914 -12.823 7.859 3.341 1.00 0.00 H new ATOM 0 HH12 ARG A 914 -13.559 8.819 4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 914 -16.889 8.233 3.543 1.00 0.00 H new ATOM 0 HH22 ARG A 914 -15.868 9.031 4.743 1.00 0.00 H new ATOM 1259 N LYS A 915 -10.107 7.433 0.802 1.00 0.00 N ATOM 1260 CA LYS A 915 -9.767 8.768 0.351 1.00 0.00 C ATOM 1261 C LYS A 915 -9.677 8.794 -1.168 1.00 0.00 C ATOM 1262 O LYS A 915 -9.813 9.850 -1.783 1.00 0.00 O ATOM 1263 CB LYS A 915 -8.442 9.193 0.978 1.00 0.00 C ATOM 1264 CG LYS A 915 -8.631 9.395 2.478 1.00 0.00 C ATOM 1265 CD LYS A 915 -9.249 10.766 2.734 1.00 0.00 C ATOM 1266 CE LYS A 915 -9.676 10.868 4.196 1.00 0.00 C ATOM 1267 NZ LYS A 915 -8.541 11.245 5.052 1.00 0.00 N ATOM 0 H LYS A 915 -9.574 7.114 1.611 1.00 0.00 H new ATOM 0 HA LYS A 915 -10.543 9.468 0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 915 -7.681 8.434 0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 915 -8.089 10.116 0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 915 -9.274 8.613 2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 915 -7.672 9.315 2.990 1.00 0.00 H new ATOM 0 HD2 LYS A 915 -8.530 11.550 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 915 -10.109 10.916 2.082 1.00 0.00 H new ATOM 0 HE2 LYS A 915 -10.472 11.606 4.295 1.00 0.00 H new ATOM 0 HE3 LYS A 915 -10.084 9.913 4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 915 -8.858 11.308 6.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 915 -7.793 10.527 4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 915 -8.169 12.168 4.749 1.00 0.00 H new ATOM 1281 N ARG A 916 -9.448 7.626 -1.774 1.00 0.00 N ATOM 1282 CA ARG A 916 -9.340 7.520 -3.215 1.00 0.00 C ATOM 1283 C ARG A 916 -8.094 8.251 -3.694 1.00 0.00 C ATOM 1284 O ARG A 916 -7.759 8.202 -4.876 1.00 0.00 O ATOM 1285 CB ARG A 916 -10.592 8.106 -3.862 1.00 0.00 C ATOM 1286 CG ARG A 916 -11.648 7.014 -4.008 1.00 0.00 C ATOM 1287 CD ARG A 916 -11.660 6.507 -5.447 1.00 0.00 C ATOM 1288 NE ARG A 916 -11.680 7.620 -6.396 1.00 0.00 N ATOM 1289 CZ ARG A 916 -12.798 8.295 -6.699 1.00 0.00 C ATOM 1290 NH1 ARG A 916 -13.960 7.959 -6.123 1.00 0.00 N ATOM 1291 NH2 ARG A 916 -12.753 9.306 -7.578 1.00 0.00 N ATOM 0 H ARG A 916 -9.335 6.742 -1.278 1.00 0.00 H new ATOM 0 HA ARG A 916 -9.255 6.472 -3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 916 -10.980 8.923 -3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 916 -10.348 8.524 -4.839 1.00 0.00 H new ATOM 0 HG2 ARG A 916 -11.434 6.193 -3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 916 -12.630 7.405 -3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 916 -10.781 5.888 -5.625 1.00 0.00 H new ATOM 0 HD3 ARG A 916 -12.533 5.874 -5.606 1.00 0.00 H new ATOM 0 HE ARG A 916 -10.807 7.894 -6.846 1.00 0.00 H new ATOM 0 HH11 ARG A 916 -13.994 7.190 -5.454 1.00 0.00 H new ATOM 0 HH12 ARG A 916 -14.811 8.472 -6.353 1.00 0.00 H new ATOM 0 HH21 ARG A 916 -11.868 9.562 -8.016 1.00 0.00 H new ATOM 0 HH22 ARG A 916 -13.604 9.820 -7.809 1.00 0.00 H new ATOM 1305 N ARG A 917 -7.406 8.928 -2.772 1.00 0.00 N ATOM 1306 CA ARG A 917 -6.203 9.665 -3.104 1.00 0.00 C ATOM 1307 C ARG A 917 -5.162 9.472 -2.010 1.00 0.00 C ATOM 1308 O ARG A 917 -5.401 9.821 -0.856 1.00 0.00 O ATOM 1309 CB ARG A 917 -6.542 11.143 -3.273 1.00 0.00 C ATOM 1310 CG ARG A 917 -7.879 11.438 -2.598 1.00 0.00 C ATOM 1311 CD ARG A 917 -9.010 11.250 -3.605 1.00 0.00 C ATOM 1312 NE ARG A 917 -10.267 11.793 -3.091 1.00 0.00 N ATOM 1313 CZ ARG A 917 -11.451 11.559 -3.673 1.00 0.00 C ATOM 1314 NH1 ARG A 917 -11.518 10.799 -4.774 1.00 0.00 N ATOM 1315 NH2 ARG A 917 -12.569 12.087 -3.155 1.00 0.00 N ATOM 0 H ARG A 917 -7.670 8.976 -1.788 1.00 0.00 H new ATOM 0 HA ARG A 917 -5.790 9.292 -4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 917 -5.757 11.760 -2.835 1.00 0.00 H new ATOM 0 HB3 ARG A 917 -6.593 11.397 -4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 917 -8.023 10.774 -1.746 1.00 0.00 H new ATOM 0 HG3 ARG A 917 -7.887 12.458 -2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 917 -8.753 11.744 -4.542 1.00 0.00 H new ATOM 0 HD3 ARG A 917 -9.132 10.190 -3.826 1.00 0.00 H new ATOM 0 HE ARG A 917 -10.241 12.375 -2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 917 -10.668 10.398 -5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 917 -12.419 10.621 -5.217 1.00 0.00 H new ATOM 0 HH21 ARG A 917 -12.519 12.667 -2.318 1.00 0.00 H new ATOM 0 HH22 ARG A 917 -13.470 11.909 -3.598 1.00 0.00 H new ATOM 1329 N LEU A 918 -4.005 8.915 -2.374 1.00 0.00 N ATOM 1330 CA LEU A 918 -2.936 8.680 -1.425 1.00 0.00 C ATOM 1331 C LEU A 918 -2.966 9.746 -0.339 1.00 0.00 C ATOM 1332 O LEU A 918 -2.993 10.938 -0.637 1.00 0.00 O ATOM 1333 CB LEU A 918 -1.596 8.690 -2.155 1.00 0.00 C ATOM 1334 CG LEU A 918 -1.457 7.413 -2.979 1.00 0.00 C ATOM 1335 CD1 LEU A 918 -2.018 6.234 -2.189 1.00 0.00 C ATOM 1336 CD2 LEU A 918 -2.228 7.564 -4.286 1.00 0.00 C ATOM 0 H LEU A 918 -3.792 8.620 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 918 -3.071 7.706 -0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 918 -1.530 9.563 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 918 -0.779 8.763 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 918 -0.404 7.235 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 918 -1.919 5.322 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 918 -1.466 6.126 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 918 -3.071 6.411 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 918 -2.129 6.652 -4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 918 -3.281 7.743 -4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 918 -1.826 8.405 -4.850 1.00 0.00 H new ATOM 1348 N VAL A 919 -2.961 9.314 0.924 1.00 0.00 N ATOM 1349 CA VAL A 919 -2.987 10.230 2.046 1.00 0.00 C ATOM 1350 C VAL A 919 -1.598 10.334 2.659 1.00 0.00 C ATOM 1351 O VAL A 919 -0.623 9.869 2.073 1.00 0.00 O ATOM 1352 CB VAL A 919 -3.998 9.740 3.079 1.00 0.00 C ATOM 1353 CG1 VAL A 919 -5.105 8.959 2.376 1.00 0.00 C ATOM 1354 CG2 VAL A 919 -3.297 8.834 4.086 1.00 0.00 C ATOM 0 H VAL A 919 -2.939 8.329 1.187 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.287 11.221 1.704 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.430 10.595 3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -5.828 8.609 3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -5.606 9.606 1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -4.673 8.104 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -4.018 8.484 4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.865 7.979 3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -2.506 9.391 4.588 1.00 0.00 H new ATOM 1364 N ALA A 920 -1.509 10.947 3.842 1.00 0.00 N ATOM 1365 CA ALA A 920 -0.242 11.109 4.526 1.00 0.00 C ATOM 1366 C ALA A 920 0.302 9.747 4.933 1.00 0.00 C ATOM 1367 O ALA A 920 -0.282 9.071 5.777 1.00 0.00 O ATOM 1368 CB ALA A 920 -0.435 12.002 5.748 1.00 0.00 C ATOM 0 H ALA A 920 -2.308 11.338 4.341 1.00 0.00 H new ATOM 0 HA ALA A 920 0.479 11.581 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 920 0.518 12.124 6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 920 -0.804 12.977 5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 920 -1.157 11.543 6.424 1.00 0.00 H new ATOM 1374 N PRO A 921 1.423 9.345 4.331 1.00 0.00 N ATOM 1375 CA PRO A 921 2.083 8.084 4.593 1.00 0.00 C ATOM 1376 C PRO A 921 2.750 8.131 5.960 1.00 0.00 C ATOM 1377 O PRO A 921 3.520 9.046 6.246 1.00 0.00 O ATOM 1378 CB PRO A 921 3.121 7.948 3.481 1.00 0.00 C ATOM 1379 CG PRO A 921 3.475 9.401 3.168 1.00 0.00 C ATOM 1380 CD PRO A 921 2.136 10.115 3.334 1.00 0.00 C ATOM 0 HA PRO A 921 1.395 7.239 4.604 1.00 0.00 H new ATOM 0 HB2 PRO A 921 3.992 7.381 3.808 1.00 0.00 H new ATOM 0 HB3 PRO A 921 2.715 7.434 2.610 1.00 0.00 H new ATOM 0 HG2 PRO A 921 4.229 9.790 3.852 1.00 0.00 H new ATOM 0 HG3 PRO A 921 3.871 9.513 2.159 1.00 0.00 H new ATOM 0 HD2 PRO A 921 2.276 11.146 3.657 1.00 0.00 H new ATOM 0 HD3 PRO A 921 1.587 10.148 2.393 1.00 0.00 H new ATOM 1388 N CYS A 922 2.451 7.142 6.805 1.00 0.00 N ATOM 1389 CA CYS A 922 3.018 7.070 8.136 1.00 0.00 C ATOM 1390 C CYS A 922 2.882 5.653 8.673 1.00 0.00 C ATOM 1391 O CYS A 922 3.369 5.351 9.760 1.00 0.00 O ATOM 1392 CB CYS A 922 2.305 8.066 9.047 1.00 0.00 C ATOM 1393 SG CYS A 922 0.521 7.781 8.935 1.00 0.00 S ATOM 0 H CYS A 922 1.813 6.378 6.580 1.00 0.00 H new ATOM 0 HA CYS A 922 4.077 7.326 8.102 1.00 0.00 H new ATOM 0 HB2 CYS A 922 2.643 7.946 10.076 1.00 0.00 H new ATOM 0 HB3 CYS A 922 2.544 9.087 8.750 1.00 0.00 H new ATOM 0 HG CYS A 922 0.082 8.222 7.793 1.00 0.00 H new TER 1399 CYS A 922